BDBM50000564 2-[2-{[2-(Cyclohexanecarbonyl-amino)-4-methyl-pentanoyl]-methyl-amino}-3-(1H-indol-3-yl)-propionylamino]-3-pyridin-2-yl-propionic acid; hydrochloride::CHEMBL538475

SMILES: CC(C)C[C@@H](NC(=O)C1CCCCC1)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(O)=O

InChI Key: InChIKey=UBCUEDSXXATEID-NLDZOOGBSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50000564   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human))	BDBM50000564 (2-[2-{[2-(Cyclohexanecarbonyl-amino)-4-methyl-pent...) Show SMILES CC(C)C[C@@H](NC(=O)C1CCCCC1)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(O)=O Show InChI InChI=1S/C33H43N5O5/c1-21(2)17-27(36-30(39)22-11-5-4-6-12-22)32(41)38(3)29(18-23-20-35-26-15-8-7-14-25(23)26)31(40)37-28(33(42)43)19-24-13-9-10-16-34-24/h7-10,13-16,20-22,27-29,35H,4-6,11-12,17-19H2,1-3H3,(H,36,39)(H,37,40)(H,42,43)/t27-,28-,29+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity to Endothelin A receptor in the rat atrium				J Med Chem 35: 1493-508 (1992) BindingDB Entry DOI: 10.7270/Q27M08KX
					More data for this Ligand-Target Pair
Endothelin receptor ET-A (Sus scrofa)	BDBM50000564 (2-[2-{[2-(Cyclohexanecarbonyl-amino)-4-methyl-pent...) Show SMILES CC(C)C[C@@H](NC(=O)C1CCCCC1)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(O)=O Show InChI InChI=1S/C33H43N5O5/c1-21(2)17-27(36-30(39)22-11-5-4-6-12-22)32(41)38(3)29(18-23-20-35-26-15-8-7-14-25(23)26)31(40)37-28(33(42)43)19-24-13-9-10-16-34-24/h7-10,13-16,20-22,27-29,35H,4-6,11-12,17-19H2,1-3H3,(H,36,39)(H,37,40)(H,42,43)/t27-,28-,29+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity towards Endothelin A receptor in porcine aortic membranes				J Med Chem 35: 1493-508 (1992) BindingDB Entry DOI: 10.7270/Q27M08KX
					More data for this Ligand-Target Pair