Compound,SMILES,mMC1R EC50 (nM),mMC3R EC50 (nM),mMC4R EC50 (nM),mMC4R pA2,mMC5R EC50 (nM)
NDP-MSH,NC([C@H](C(C)C)NC([C@@H]1CCCN1C([C@H](CCCCN)NC(CNC([C@@H](NC([C@H](CCCNC(N)=N)NC([C@H](NC([C@@H](NC([C@H](CCC(O)=O)NC([C@@H](NC([C@H](CO)NC([C@@H](NC([C@H](CO)NC(C)=O)=O)CC(C=C2)=CC=C2O)=O)=O)CCCC)=O)=O)CC3=CN=CN3)=O)CC4=CC=CC=C4)=O)=O)CC5=CNC6=C5C=CC=C6)=O)=O)=O)=O)=O,0.09,0.36,0.12,ND,2.6
1,N=C1N(C[C@@H]([C@](C)([H])O)N1CC23CC4CC(C3)CC(C4)C2)[C@H](CC5CCCCC5)CN6[C@@H](CCC6)CN7[C@H](CC(C)C)CNC7=N,13.4,31,5.5 ± 0.8,ND,4.2
2,N=C1N(C[C@@H]([C@](C)([H])O)N1CC2CCC(C(C)(C)C)CC2)[C@H](CC3CCCCC3)CN4[C@@H](CCC4)CN5[C@H](CC(C)C)CNC5=N,330,240,650 (55%),5.5,340
3,N=C1N(C[C@@H]([C@](C)([H])O)N1CCCC(C)C)[C@H](CC2CCCCC2)CN3[C@@H](CCC3)CN4[C@H](CC(C)C)CNC4=N,300,210,270 (45%),5.8,140
4,N=C1N(C[C@@H](CCC)N1CC23CC4CC(C3)CC(C4)C2)[C@H](CC5CCCCC5)CN6[C@@H](CCC6)CN7[C@H](CC(C)C)CNC7=N,7300,58% @ 10 µM,10-50% @ 10 ?M,ND,630
5,N=C1N(C[C@@H](CCC)N1CC2CCC(C(C)(C)C)CC2)[C@H](CC3CCCCC3)CN4[C@@H](CCC4)CN5[C@H](CC(C)C)CNC5=N,70% @ 10 µM,67% @ 10 µM,51% @ 10 µM,ND,470
6,N=C1N(C[C@@H](CCC)N1CCCC(C)C)[C@H](CC2CCCCC2)CN3[C@@H](CCC3)CN4[C@H](CC(C)C)CNC4=N,500,75% @ 10 µM,65% @ 10 µM,ND,530
7,N=C1N(C[C@@H](C(C)C)N1CC23CC4CC(C3)CC(C4)C2)[C@H](CC5CCCCC5)CN6[C@@H](CCC6)CN7[C@H](CC(C)C)CNC7=N,2300,58% @ 10 µM,6700,ND,1800
8,N=C1N(C[C@@H](C(C)C)N1CC2CCC(C(C)(C)C)CC2)[C@H](CC3CCCCC3)CN4[C@@H](CCC4)CN5[C@H](CC(C)C)CNC5=N,570,70% @ 10 µM,50% @ 10 µM,ND,500
9,N=C1N(C[C@@H](C(C)C)N1CCCC(C)C)[C@H](CC2CCCCC2)CN3[C@@H](CCC3)CN4[C@H](CC(C)C)CNC4=N,54% @ 10 µM,69% @ 10 µM,">100,000",ND,560
10,N=C1N(C[C@@H]([C@](C)([H])O)N1CC23CC4CC(C3)CC(C4)C2)[C@H](CC5=CC=CC=C5)CN6[C@@H](CCC6)CN7[C@H](CC(C)C)CNC7=N,50% @ 10 µM,33% @ 10 µM,51-90% @ 10 ?M,ND,1850
11,N=C1N(C[C@@H]([C@](C)([H])O)N1CC2CCC(C(C)(C)C)CC2)[C@H](CC3=CC=CC=C3)CN4[C@@H](CCC4)CN5[C@H](CC(C)C)CNC5=N,41% @ 10 µM,360,58% @ 10 µM,5.6,810
12,N=C1N(C[C@@H]([C@](C)([H])O)N1CCCC(C)C)[C@H](CC2=CC=CC=C2)CN3[C@@H](CCC3)CN4[C@H](CC(C)C)CNC4=N,58% @ 10 µM,310,10-50% @ 10 ?M,7,530
13,N=C1N(C[C@@H](CCC)N1CC23CC4CC(C3)CC(C4)C2)[C@H](CC5=CC=CC=C5)CN6[C@@H](CCC6)CN7[C@H](CC(C)C)CNC7=N,62% @ 10 µM,">100,000",">100,000",ND,77% @ 10 µM
14,N=C1N(C[C@@H](CCC)N1CC2CCC(C(C)(C)C)CC2)[C@H](CC3=CC=CC=C3)CN4[C@@H](CCC4)CN5[C@H](CC(C)C)CNC5=N,7000,74% @ 10 µM,1330,ND,610
15,N=C1N(C[C@@H](CCC)N1CCCC(C)C)[C@H](CC2=CC=CC=C2)CN3[C@@H](CCC3)CN4[C@H](CC(C)C)CNC4=N,38% @ 10 µM,83% @ 10 µM,28% @ 10 µM,ND,480
16,N=C1N(C[C@@H](C(C)C)N1CC23CC4CC(C3)CC(C4)C2)[C@H](CC5=CC=CC=C5)CN6[C@@H](CCC6)CN7[C@H](CC(C)C)CNC7=N,">100,000",">100,000",51-90% @ 10 ?M,ND,2180
17,N=C1N(C[C@@H](C(C)C)N1CC2CCC(C(C)(C)C)CC2)[C@H](CC3=CC=CC=C3)CN4[C@@H](CCC4)CN5[C@H](CC(C)C)CNC5=N,15500,67% @ 10 µM,8200 ± 3550,ND,440
18,N=C1N(C[C@@H](C(C)C)N1CCCC(C)C)[C@H](CC2=CC=CC=C2)CN3[C@@H](CCC3)CN4[C@H](CC(C)C)CNC4=N,6800,62% @ 10 µM,">100,000",ND,560
19,N=C1N(C[C@@H]([C@](C)([H])O)N1CC23CC4CC(C3)CC(C4)C2)[C@H](CC5CCCCC5)CN6[C@@H](CCC6)CN7[C@H](C(C)C)CNC7=N,">100,000",10-50% @ 10 ?M,10-50% @ 10 ?M,ND,1260
20,N=C1N(C[C@@H]([C@](C)([H])O)N1CC2CCC(C(C)(C)C)CC2)[C@H](CC3CCCCC3)CN4[C@@H](CCC4)CN5[C@H](C(C)C)CNC5=N,200,370,49% @ 10 µM,5.8,600
21,N=C1N(C[C@@H]([C@](C)([H])O)N1CCCC(C)C)[C@H](CC2CCCCC2)CN3[C@@H](CCC3)CN4[C@H](C(C)C)CNC4=N,300,220,41% @ 10 µM,5.9,150
22,N=C1N(C[C@@H](CCC)N1CC23CC4CC(C3)CC(C4)C2)[C@H](CC5CCCCC5)CN6[C@@H](CCC6)CN7[C@H](C(C)C)CNC7=N,700,5200,">100,000",ND,740
23,N=C1N(C[C@@H](CCC)N1CC2CCC(C(C)(C)C)CC2)[C@H](CC3CCCCC3)CN4[C@@H](CCC4)CN5[C@H](C(C)C)CNC5=N,550,2800,45% @ 10 µM,ND,590
24,N=C1N(C[C@@H](CCC)N1CCCC(C)C)[C@H](CC2CCCCC2)CN3[C@@H](CCC3)CN4[C@H](C(C)C)CNC4=N,51-90% @ 10 ?M,350,50% @ 10 µM,5.8,540
25,N=C1N(C[C@@H](C(C)C)N1CC23CC4CC(C3)CC(C4)C2)[C@H](CC5CCCCC5)CN6[C@@H](CCC6)CN7[C@H](C(C)C)CNC7=N,51-90% @ 10 ?M,51-90% @ 10 ?M,40% @ 10 µM,ND,1040
26,N=C1N(C[C@@H](C(C)C)N1CC2CCC(C(C)(C)C)CC2)[C@H](CC3CCCCC3)CN4[C@@H](CCC4)CN5[C@H](C(C)C)CNC5=N,300,3700,40% @ 10 µM,ND,580
27,N=C1N(C[C@@H](C(C)C)N1CCCC(C)C)[C@H](CC2CCCCC2)CN3[C@@H](CCC3)CN4[C@H](C(C)C)CNC4=N,290,4300,28% @ 10 µM,ND,510
28,N=C1N(C[C@@H]([C@](C)([H])O)N1CC23CC4CC(C3)CC(C4)C2)[C@H](CC5=CC=CC=C5)CN6[C@@H](CCC6)CN7[C@H](C(C)C)CNC7=N,6100,51-90% @ 10 ?M,51-90% @ 10 ?M,ND,1700
29,N=C1N(C[C@@H]([C@](C)([H])O)N1CC2CCC(C(C)(C)C)CC2)[C@H](CC3=CC=CC=C3)CN4[C@@H](CCC4)CN5[C@H](C(C)C)CNC5=N,440,360,580 (75%),5.8,180
30,N=C1N(C[C@@H]([C@](C)([H])O)N1CCCC(C)C)[C@H](CC2=CC=CC=C2)CN3[C@@H](CCC3)CN4[C@H](C(C)C)CNC4=N,600,420,10-50% @ 10 ?M,6.5,490
31,N=C1N(C[C@@H](CCC)N1CC23CC4CC(C3)CC(C4)C2)[C@H](CC5=CC=CC=C5)CN6[C@@H](CCC6)CN7[C@H](C(C)C)CNC7=N,51-90% @ 10 ?M,">100,000",">100,000",ND,40% @ 10 µM
32,N=C1N(C[C@@H](CCC)N1CC2CCC(C(C)(C)C)CC2)[C@H](CC3=CC=CC=C3)CN4[C@@H](CCC4)CN5[C@H](C(C)C)CNC5=N,6700,2000,1400,ND,6600
33,N=C1N(C[C@@H](CCC)N1CCCC(C)C)[C@H](CC2=CC=CC=C2)CN3[C@@H](CCC3)CN4[C@H](C(C)C)CNC4=N,2300,6200,27% @ 10 µM,ND,940
34,N=C1N(C[C@@H](C(C)C)N1CC23CC4CC(C3)CC(C4)C2)[C@H](CC5=CC=CC=C5)CN6[C@@H](CCC6)CN7[C@H](C(C)C)CNC7=N,22900,">100,000",41% @ 10 µM,ND,2030
35,N=C1N(C[C@@H](C(C)C)N1CC2CCC(C(C)(C)C)CC2)[C@H](CC3=CC=CC=C3)CN4[C@@H](CCC4)CN5[C@H](C(C)C)CNC5=N,47800,4000,54% @ 10 µM,ND,660
36,N=C1N(C[C@@H](C(C)C)N1CCCC(C)C)[C@H](CC2=CC=CC=C2)CN3[C@@H](CCC3)CN4[C@H](C(C)C)CNC4=N,29100,68% @ 10 µM,">100,000",ND,600
37,N=C1N(CCN1CC2CCC(C(C)(C)C)CC2)[C@H](CC3=CC=CC=C3)CN4[C@@H](CCC4)CN5[C@H]([C@@H](C)CC)CNC5=N,10220,">100,000",21% @ 10 µM,ND,1600
,,290,65% @ 10 µM,23% @ 10 µM,ND,380