BDBM50065511 (S)-4-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-tolyl-butyric acid::CHEMBL94141

SMILES: Cc1ccccc1[C@H](CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1C#N

InChI Key: InChIKey=ARDXPWJWTGZJGO-NRFANRHFSA-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 = 50065511   

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
EDNRB (RAT)	BDBM50065511 ((S)-4-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenoxy]-4...) Show SMILES Cc1ccccc1[C@H](CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1C#N Show InChI InChI=1S/C23H21NO4S/c1-16-4-2-3-5-20(16)21(8-9-23(25)26)28-22-12-19(7-6-18(22)13-24)27-14-17-10-11-29-15-17/h2-7,10-12,15,21H,8-9,14H2,1H3,(H,25,26)/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of [125I]ET1 binding to rat cerebellum Endothelin B receptor.				J Med Chem 41: 2732-44 (1998) Article DOI: 10.1021/jm9707131 BindingDB Entry DOI: 10.7270/Q2HM594W
					More data for this Ligand-Target Pair
EDNRA (RAT)	BDBM50065511 ((S)-4-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenoxy]-4...) Show SMILES Cc1ccccc1[C@H](CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1C#N Show InChI InChI=1S/C23H21NO4S/c1-16-4-2-3-5-20(16)21(8-9-23(25)26)28-22-12-19(7-6-18(22)13-24)27-14-17-10-11-29-15-17/h2-7,10-12,15,21H,8-9,14H2,1H3,(H,25,26)/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	113	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.				J Med Chem 41: 2732-44 (1998) Article DOI: 10.1021/jm9707131 BindingDB Entry DOI: 10.7270/Q2HM594W
					More data for this Ligand-Target Pair