BDBM50089732 4-Benzyl-2-(3-methoxy-benzyl)-5-trifluoromethyl-2H-pyrazol-3-ol::CHEMBL27290::CHEMBL3144831

SMILES: COc1cccc(Cn2[nH]c(c(Cc3ccccc3)c2=O)C(F)(F)F)c1

InChI Key: InChIKey=UPVLQPSBHRWJKS-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 = 50089732   

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
EDNRA (RAT)	BDBM50089732 (4-Benzyl-2-(3-methoxy-benzyl)-5-trifluoromethyl-2H...) Show SMILES COc1cccc(Cn2[nH]c(c(Cc3ccccc3)c2=O)C(F)(F)F)c1 Show InChI InChI=1S/C19H17F3N2O2/c1-26-15-9-5-8-14(10-15)12-24-18(25)16(17(23-24)19(20,21)22)11-13-6-3-2-4-7-13/h2-10,23H,11-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay				Bioorg Med Chem Lett 10: 1351-5 (2000) BindingDB Entry DOI: 10.7270/Q2ZK5FW3
					More data for this Ligand-Target Pair