BDBM50050032 2-[(R)-1-{(S)-2-[3-(2-Fluoro-phenyl)-ureido]-4-methyl-pentanoylamino}-2-(1-methyl-1H-indol-3-yl)-ethyl]-5-methyl-oxazole-4-carboxylic acid::CHEMBL368461

SMILES: CC(C)C[C@H](NC(=O)Nc1ccccc1F)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1

InChI Key: InChIKey=BWSWTVFTHVTXER-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 = 50050032   

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)	BDBM50050032 (2-[(R)-1-{(S)-2-[3-(2-Fluoro-phenyl)-ureido]-4-met...) Show SMILES CC(C)C[C@H](NC(=O)Nc1ccccc1F)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1 Show InChI InChI=1S/C29H32FN5O5/c1-16(2)13-22(33-29(39)32-21-11-7-6-10-20(21)30)26(36)31-23(27-34-25(28(37)38)17(3)40-27)14-18-15-35(4)24-12-8-5-9-19(18)24/h5-12,15-16,22-23H,13-14H2,1-4H3,(H,31,36)(H,37,38)(H2,32,33,39)/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	2.40E+3	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)	BDBM50050032 (2-[(R)-1-{(S)-2-[3-(2-Fluoro-phenyl)-ureido]-4-met...) Show SMILES CC(C)C[C@H](NC(=O)Nc1ccccc1F)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1 Show InChI InChI=1S/C29H32FN5O5/c1-16(2)13-22(33-29(39)32-21-11-7-6-10-20(21)30)26(36)31-23(27-34-25(28(37)38)17(3)40-27)14-18-15-35(4)24-12-8-5-9-19(18)24/h5-12,15-16,22-23H,13-14H2,1-4H3,(H,31,36)(H,37,38)(H2,32,33,39)/t22-,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	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