Target ID: CHEMBL1801
Organism: Homo sapiens
Type: SINGLE PROTEIN
Name | SMILES | Bioactivity | Structure |
---|---|---|---|
DALFAMPRIDINE | Nc1ccncc1 | Ki: 2000000.0 nM | ![]() |
NAFAMOSTAT | N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 | IC50: 12000.0 nM | ![]() |
AMILORIDE | N=C(N)NC(=O)c1nc(Cl)c(N)nc1N | Pc: 780000.0 cm s-1 | ![]() |
EFEGATRAN | CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCN=C(N)N | ED50: 0.04 mg.kg-1 | ![]() |
DABIGATRAN | Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21 | IC50: 9.3 nM | ![]() |
ARGATROBAN | CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1 | IC50: 9.0 nM | ![]() |
SMILES | Avg pKi | Count | Structure |
---|---|---|---|
[1*]C([6*])=O | 6.48 | 153 | ![]() |
[5*]N[5*] | 8.04 | 115 | ![]() |
[5*]NC(=N)N | 6.48 | 114 | ![]() |
c1ccncc1 | 2.7 | 39 | ![]() |
Nc1ccncc1 | 2.7 | 39 | ![]() |