BDBM50051429 2-[(R)-2-{2-[(Azocane-1-carbonyl)-amino]-4-methyl-pentanoylamino}-3-(2-bromo-1H-indol-3-yl)-propionylamino]-hexanoic acid::CHEMBL77468

SMILES CCCCC(NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)N1CCCCCCC1)C(O)=O

InChI Key InChIKey=HCIDUUVZRHLCAT-NRUKRLKBSA-N

Data  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50051429   

TargetEndothelin receptor type B(Sus scrofa)
Tsukuba Research Institute

Curated by ChEMBL
LigandPNGBDBM50051429(2-[(R)-2-{2-[(Azocane-1-carbonyl)-amino]-4-methyl-...)
Show SMILES CCCCC(NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)N1CCCCCCC1)C(O)=O
Show InChI InChI=1S/C31H46BrN5O5/c1-4-5-14-24(30(40)41)34-29(39)26(19-22-21-13-9-10-15-23(21)33-27(22)32)35-28(38)25(18-20(2)3)36-31(42)37-16-11-7-6-8-12-17-37/h9-10,13,15,20,24-26,33H,4-8,11-12,14,16-19H2,1-3H3,(H,34,39)(H,35,38)(H,36,42)(H,40,41)/t24?,25?,26-/m1/s1
Affinity DataIC50: 26nMAssay 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
LigandPNGBDBM50051429(2-[(R)-2-{2-[(Azocane-1-carbonyl)-amino]-4-methyl-...)
Show SMILES CCCCC(NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)N1CCCCCCC1)C(O)=O
Show InChI InChI=1S/C31H46BrN5O5/c1-4-5-14-24(30(40)41)34-29(39)26(19-22-21-13-9-10-15-23(21)33-27(22)32)35-28(38)25(18-20(2)3)36-31(42)37-16-11-7-6-8-12-17-37/h9-10,13,15,20,24-26,33H,4-8,11-12,14,16-19H2,1-3H3,(H,34,39)(H,35,38)(H,36,42)(H,40,41)/t24?,25?,26-/m1/s1
Affinity DataIC50: 27nMAssay Description:Binding affinity towards endothelin A receptor in porcine aortic smooth muscle membranes.More data for this Ligand-Target Pair