BDBM50050031 5-Methyl-2-{(R)-2-(1-methyl-1H-indol-3-yl)-1-[(S)-4-methyl-2-(3-phenyl-ureido)-pentanoylamino]-ethyl}-oxazole-4-carboxylic acid::CHEMBL175066

SMILES: CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1

InChI Key: InChIKey=YMRUHNQVVUOZLT-XZOQPEGZSA-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 = 50050031   

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-B (Sus scrofa)	BDBM50050031 (5-Methyl-2-{(R)-2-(1-methyl-1H-indol-3-yl)-1-[(S)-...) Show SMILES CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1 Show InChI InChI=1S/C29H33N5O5/c1-17(2)14-22(32-29(38)30-20-10-6-5-7-11-20)26(35)31-23(27-33-25(28(36)37)18(3)39-27)15-19-16-34(4)24-13-9-8-12-21(19)24/h5-13,16-17,22-23H,14-15H2,1-4H3,(H,31,35)(H,36,37)(H2,30,32,38)/t22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity was evaluated against ET- B Binding to Endothelin B receptor from porcine cerebellar membranes				J Med Chem 39: 968-81 (1996) Article DOI: 10.1021/jm950592+ BindingDB Entry DOI: 10.7270/Q2J38RMT
					More data for this Ligand-Target Pair
EDNRA (RAT)	BDBM50050031 (5-Methyl-2-{(R)-2-(1-methyl-1H-indol-3-yl)-1-[(S)-...) Show SMILES CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1 Show InChI InChI=1S/C29H33N5O5/c1-17(2)14-22(32-29(38)30-20-10-6-5-7-11-20)26(35)31-23(27-33-25(28(36)37)18(3)39-27)15-19-16-34(4)24-13-9-8-12-21(19)24/h5-13,16-17,22-23H,14-15H2,1-4H3,(H,31,35)(H,36,37)(H2,30,32,38)/t22-,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity was evaluated against ET- A Binding to Endothelin A receptor in MMQ cell homogenates				J Med Chem 39: 968-81 (1996) Article DOI: 10.1021/jm950592+ BindingDB Entry DOI: 10.7270/Q2J38RMT
					More data for this Ligand-Target Pair