BDBM50050054 2-[(R)-1-((R)-2-Cyclohexylcarbamoylmethyl-4-methyl-pentanoylamino)-2-(1-methyl-1H-indol-3-yl)-ethyl]-5-methyl-oxazole-4-carboxylic acid::CHEMBL177839

SMILES: CC(C)C[C@H](CC(=O)NC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1

InChI Key: InChIKey=PNMVPOFSIZYXEJ-HYBUGGRVSA-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 = 50050054   

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-1 receptor (Homo sapiens (Human))	BDBM50050054 (2-[(R)-1-((R)-2-Cyclohexylcarbamoylmethyl-4-methyl...) Show SMILES CC(C)C[C@H](CC(=O)NC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1 Show InChI InChI=1S/C30H40N4O5/c1-18(2)14-20(16-26(35)31-22-10-6-5-7-11-22)28(36)32-24(29-33-27(30(37)38)19(3)39-29)15-21-17-34(4)25-13-9-8-12-23(21)25/h8-9,12-13,17-18,20,22,24H,5-7,10-11,14-16H2,1-4H3,(H,31,35)(H,32,36)(H,37,38)/t20-,24-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity was evaluated against human Endothelin A receptor				J Med Chem 39: 982-91 (1996) Article DOI: 10.1021/jm9505932 BindingDB Entry DOI: 10.7270/Q2DB80WG
					More data for this Ligand-Target Pair
EDNRB (Homo sapiens (Human))	BDBM50050054 (2-[(R)-1-((R)-2-Cyclohexylcarbamoylmethyl-4-methyl...) Show SMILES CC(C)C[C@H](CC(=O)NC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1 Show InChI InChI=1S/C30H40N4O5/c1-18(2)14-20(16-26(35)31-22-10-6-5-7-11-22)28(36)32-24(29-33-27(30(37)38)19(3)39-29)15-21-17-34(4)25-13-9-8-12-23(21)25/h8-9,12-13,17-18,20,22,24H,5-7,10-11,14-16H2,1-4H3,(H,31,35)(H,32,36)(H,37,38)/t20-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity was evaluated against human Endothelin B receptor				J Med Chem 39: 982-91 (1996) Article DOI: 10.1021/jm9505932 BindingDB Entry DOI: 10.7270/Q2DB80WG
					More data for this Ligand-Target Pair