BDBM50422140 CHEMBL2304014

SMILES CC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2c([nH]c3ccccc23)C#N)NC(=O)[C@H](NC1=O)C(C)C

InChI Key InChIKey=BFPMHXBUFKGOAP-CLOLZIAHSA-N

Data  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50422140   

TargetEndothelin receptor type B(Sus scrofa)
Tsukuba Research Institute

Curated by ChEMBL
LigandPNGBDBM50422140(CHEMBL2304014)
Show SMILES CC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2c([nH]c3ccccc23)C#N)NC(=O)[C@H](NC1=O)C(C)C
Show InChI InChI=1S/C31H39N7O7/c1-15(2)25-29(43)34-20(12-18-17-8-5-6-9-19(17)33-22(18)14-32)27(41)35-21(13-24(39)40)31(45)38-11-7-10-23(38)28(42)36-26(16(3)4)30(44)37-25/h5-6,8-9,15-16,20-21,23,25-26,33H,7,10-13H2,1-4H3,(H,34,43)(H,35,41)(H,36,42)(H,37,44)(H,39,40)/t20-,21+,23-,25+,26-/m0/s1
Affinity DataIC50: 170nMAssay Description:Binding affinity towards endothelin B receptor in porcine cerebellum membranesMore data for this Ligand-Target Pair
TargetEndothelin-1 receptor(Sus scrofa)
Tsukuba Research Institute

Curated by ChEMBL
LigandPNGBDBM50422140(CHEMBL2304014)
Show SMILES CC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2c([nH]c3ccccc23)C#N)NC(=O)[C@H](NC1=O)C(C)C
Show InChI InChI=1S/C31H39N7O7/c1-15(2)25-29(43)34-20(12-18-17-8-5-6-9-19(17)33-22(18)14-32)27(41)35-21(13-24(39)40)31(45)38-11-7-10-23(38)28(42)36-26(16(3)4)30(44)37-25/h5-6,8-9,15-16,20-21,23,25-26,33H,7,10-13H2,1-4H3,(H,34,43)(H,35,41)(H,36,42)(H,37,44)(H,39,40)/t20-,21+,23-,25+,26-/m0/s1
Affinity DataIC50: 2.20E+3nMAssay Description:Binding affinity towards endothelin A receptor in porcine aortic smooth muscle membranes.More data for this Ligand-Target Pair