Cpd,Smiles,pIC50,,
,,AM2R,AM1R,CGRPR
1,O=C(C(C1)(N2C)CC3=C1C=CC(NC(CN(C(C(C)(C)C)=O)CC4=CC=CC=C4)=O)=C3)NC2=O,5.9,nd,nd
2,O=C(C(C)(C)C)N(CC1=CC=CC=C1)CC(N2CCC(N3C(C=CC=N4)=C4NC3=O)CC2)=O,<5,nd,nd
3,O=C1NC2=C(C=CC=N2)C(C3)1CC4=C3C=CC(NC(CN(C(C(C)(C)C)=O)CC5=CC=CC=C5)=O)=C4,6.7,nd,nd
4,O=C(CN(C(C(C)(C)C)=O)CC1=CC=CC=C1)N2CCC(N3CC(C=CC=C4)=C4NC3=O)CC2,<5,nd,nd
5,O=C(C(C)(C)C)N(CC(NC1=CC(CC2(C(C=CC=N3)=C3NC2=O)C4)=C4C=C1)=O)CC5=CC=CC=N5,6.0 ,4.3,7
6,CN(CCC1)CC1CN(CC(NC2=CC(CC3(C(C=CC=N4)=C4NC3=O)C5)=C5C=C2)=O)C(C(C)(C)C)=O,<5, <5,5.5
7,O=C(C(C)(C)C)N(CC(NC1=CC(CC2(C(C=CC=N3)=C3NC2=O)C4)=C4C=C1)=O)CC5=CC=NN5C6=CC=CC=C6,5.1,nd,7
8,O=C(C(C)(C)C)N(CC(NC1=CC(CC2(C(C=CC=N3)=C3NC2=O)C4)=C4C=C1)=O)CC5=NC=CS5,6,4.6,7
9,O=C(C(C)(C)C)N(CC(NC1=CC(CC2(C(C=CC=N3)=C3NC2=O)C4)=C4C=C1)=O)CC5=C(C6CCNC6)C=CC=C5,6.5,nd,8.1
10,O=C(C(C)(C)C)N(CC(NC1=CC(CC2(C(C=CC=N3)=C3NC2=O)C4)=C4C=C1)=O)CC5=C(C=NN6)C6=CC=C5,6.5,nd,8.3
11,NC(C=CC=C1)=C1CN(CC(NC2=CC(CC3(C(C=CC=N4)=C4NC3=O)C5)=C5C=C2)=O)C(C(C)(C)C)=O,8.2,nd,8.4
12,O=C(C(C)(C)C)N(CC(NC1=CC(CC2(C(C=CC=N3)=C3NC2=O)C4)=C4C=C1)=O)CC5=C(CN)C=CC=C5,8.1,5.1,8.3
13,OCC(C=CC=C1)=C1CN(CC(NC2=CC(CC3(C(C=CC=N4)=C4NC3=O)C5)=C5C=C2)=O)C(C(C)(C)C)=O,6.9,5.9,8.3
14,NCC1=CC=CC(CN(CC(NC2=CC(CC3(C(C=CC=N4)=C4NC3=O)C5)=C5C=C2)=O)C(C(C)(C)C)=O)=C1,5.5,nd,6.1
15,NC(C(C=CC=C1)=C1CN(CC(NC2=CC(CC3(C(C=CC=N4)=C4NC3=O)C5)=C5C=C2)=O)C(C(C)(C)C)=O)=O,7.1,5.2,7.3
16,NCCC(C=CC=C1)=C1CN(CC(NC2=CC(CC3(C(C=CC=N4)=C4NC3=O)C5)=C5C=C2)=O)C(C(C)(C)C)=O,7.5,nd,8.6
17,O=C(C(C)(C)C)N(CC(NC1=CC(CC2(C(C=CC=N3)=C3NC2=O)C4)=C4C=C1)=O)CC5=C(CNCC6)C6=CC=C5,7,nd,6.9
18,O=C(C(C)(C)C)N(CC(NC1=CC(CC2(C(C=CC=N3)=C3NC2=O)C4)=C4C=C1)=O)CC5=C(CN6CCOCC6)C=CC=C5,5.9,nd,8.1
19,O=C(C(C)(C)C)N(CC(NC1=CC(CC2(C(C=CC=N3)=C3NC2=O)C4)=C4C=C1)=O)CC5=C(CN6C=CN=C6)C=CC=C5,6.9,nd,8.5
20,O=C(C(C)(C)C)N(CC(NC1=CC(CC2(C(C=CC=N3)=C3NC2=O)C4)=C4C=C1)=O)CC5=C(C6=CC=CN=C6)C=CC=C5,6,nd,6.4
21,O=C(C(C)(C)C)N(CC(NC1=CC(CC2(C(C=CC=N3)=C3NC2=O)C4)=C4C=C1)=O)CC5=C(C#N)C=CC=C5,6.3,4.2,7.6
22,NCC(C=CC=N1)=C1CN(CC(NC2=CC(CC3(C(C=CC=N4)=C4NC3=O)C5)=C5C=C2)=O)C(C(C)(C)C)=O,5.7,nd,6.3
23,O=C(C(C)(C)C)N(CC(NC1=CC(CC2(C(C=CC=N3)=C3NC2=O)C4)=C4C=C1)=O)CC5=C(CNCC6=NC=CN6)C=CC=C5,6.6,nd,8.4
24,NC(NCC(C=CC=C1)=C1CN(CC(NC2=CC(CC3(C(C=CC=N4)=C4NC3=O)C5)=C5C=C2)=O)C(C(C)(C)C)=O)=N,7,nd,9.2
25,CNCC(C=CC=C1)=C1CN(CC(NC2=CC(CC3(C(C=CC=N4)=C4NC3=O)C5)=C5C=C2)=O)C(C(C)(C)C)=O,9.2,5.7,8.4
26,O=C(C(C)(C)C)N(CC(NC1=CC(CC2(C(C=CC=N3)=C3NC2=O)C4)=C4C=C1)=O)CC5=C(CNC6CC6)C=CC=C5,9,5.5,9
27,O=C(C(C)(C)C)N(CC(NC1=CC(CC2(C(C=CC=N3)=C3NC2=O)C4)=C4C=C1)=O)CC5=C(CN6CCC6)C=CC=C5,8.8,5.7,8.7
28,NCC(C=CC=C1)=C1C(C)N(CC(NC2=CC(CC3(C(C=CC=N4)=C4NC3=O)C5)=C5C=C2)=O)C(C(C)(C)C)=O,6.1,nd,6.7
29,NC(C)C(C=CC=C1)=C1CN(CC(NC2=CC(CC3(C(C=CC=N4)=C4NC3=O)C5)=C5C=C2)=O)C(C(C)(C)C)=O,8.3,<5.0,8.9
,,,,
nd: not determined,,,,