BDBM50017124 7-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-1,4-dithia-7-aza-spiro[4.4]nonane-8-carboxylic acid::7-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-1,4-dithia-7-aza-spiro[4.4]nonane-8-carboxylic acid (Spirapiril)::CHEMBL431::Renormax::SPIRAPRIL

SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2

InChI Key InChIKey=HRWCVUIFMSZDJS-SZMVWBNQSA-N

Data  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50017124   

TargetBile salt export pump(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50017124(7-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propi...)
Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2
Show InChI InChI=1S/C22H30N2O5S2/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27)/t15-,17-,18-/m0/s1
Affinity DataIC50: 4.71E+4nMAssay Description:In vitro displacement of [3H]ICS-205-930 from 5-hydroxytryptamine 3 receptor in cultured NG-108-15 rat glioma cellsMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Rattus norvegicus)
Schering-Plough Corporation

Curated by ChEMBL
LigandPNGBDBM50017124(7-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propi...)
Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2
Show InChI InChI=1S/C22H30N2O5S2/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27)/t15-,17-,18-/m0/s1
Affinity DataIC50: 67nMAssay Description:Compound tested in vitro for inhibition of Angiotensin I converting enzymeMore data for this Ligand-Target Pair