BDBM50130311 CHEMBL3633039

SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc(cc1OCCO)-c1ncccn1

InChI Key: InChIKey=WMTQUGCQXPZLRJ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50130311   

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))	BDBM50130311 (CHEMBL3633039) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc(cc1OCCO)-c1ncccn1 Show InChI InChI=1S/C26H22F3N3O6S/c1-36-21-5-2-3-6-22(21)38-24-20(32-39(34,35)19-9-7-18(8-10-19)26(27,28)29)15-17(16-23(24)37-14-13-33)25-30-11-4-12-31-25/h2-12,15-16,32-33H,13-14H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human ETA receptor expressed in CHO cells assessed as inhibition of ET-1-induced Ca2+ efflux from endoplasmic reticulum into c...				J Med Chem 58: 8315-59 (2015) BindingDB Entry DOI: 10.7270/Q22J6DPZ
					More data for this Ligand-Target Pair