BDBM50051393 2-((R)-3-(2-Chloro-1H-indol-3-yl)-2-{2-[((2S,6R)-2,6-dimethyl-piperidine-1-carbonyl)-amino]-4-methyl-pentanoylamino}-propionylamino)-hexanoic acid::CHEMBL412602

SMILES CCCCC(NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(O)=O

InChI Key InChIKey=GWMBPTBOMGCAGT-XAWXLUDDSA-N

Data  2 IC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50051393   

TargetEndothelin-1 receptor(Sus scrofa)
Tsukuba Research Institute

Curated by ChEMBL
LigandPNGBDBM50051393(2-((R)-3-(2-Chloro-1H-indol-3-yl)-2-{2-[((2S,6R)-2...)
Show SMILES CCCCC(NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(O)=O
Show InChI InChI=1S/C31H46ClN5O5/c1-6-7-14-24(30(40)41)34-29(39)26(17-22-21-13-8-9-15-23(21)33-27(22)32)35-28(38)25(16-18(2)3)36-31(42)37-19(4)11-10-12-20(37)5/h8-9,13,15,18-20,24-26,33H,6-7,10-12,14,16-17H2,1-5H3,(H,34,39)(H,35,38)(H,36,42)(H,40,41)/t19-,20+,24?,25?,26-/m1/s1
Affinity DataIC50: 15nMAssay Description:Binding affinity towards endothelin A receptor in porcine aortic smooth muscle membranes.More data for this Ligand-Target Pair
TargetEndothelin receptor type B(Sus scrofa)
Tsukuba Research Institute

Curated by ChEMBL
LigandPNGBDBM50051393(2-((R)-3-(2-Chloro-1H-indol-3-yl)-2-{2-[((2S,6R)-2...)
Show SMILES CCCCC(NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(O)=O
Show InChI InChI=1S/C31H46ClN5O5/c1-6-7-14-24(30(40)41)34-29(39)26(17-22-21-13-8-9-15-23(21)33-27(22)32)35-28(38)25(16-18(2)3)36-31(42)37-19(4)11-10-12-20(37)5/h8-9,13,15,18-20,24-26,33H,6-7,10-12,14,16-17H2,1-5H3,(H,34,39)(H,35,38)(H,36,42)(H,40,41)/t19-,20+,24?,25?,26-/m1/s1
Affinity DataIC50: 5.60nMAssay Description:Binding affinity towards endothelin B receptor in porcine cerebellum membranesMore data for this Ligand-Target Pair