BDBM50089711 4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-methoxy-benzyl)-5-trifluoromethyl-2H-pyrazol-3-ol::CHEMBL25798::CHEMBL3144599

SMILES: COc1cccc(Cn2[nH]c(c(Cc3ccc4OCOc4c3)c2=O)C(F)(F)F)c1

InChI Key: InChIKey=IVMUVMIFZGDSOK-UHFFFAOYSA-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 = 50089711   

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)	BDBM50089711 (4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-methoxy-benzyl)...) Show SMILES COc1cccc(Cn2[nH]c(c(Cc3ccc4OCOc4c3)c2=O)C(F)(F)F)c1 Show InChI InChI=1S/C20H17F3N2O4/c1-27-14-4-2-3-13(7-14)10-25-19(26)15(18(24-25)20(21,22)23)8-12-5-6-16-17(9-12)29-11-28-16/h2-7,9,24H,8,10-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+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 [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 1351-5 (2000) BindingDB Entry DOI: 10.7270/Q2ZK5FW3
					More data for this Ligand-Target Pair
EDNRA (RAT)	BDBM50089711 (4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-methoxy-benzyl)...) Show SMILES COc1cccc(Cn2[nH]c(c(Cc3ccc4OCOc4c3)c2=O)C(F)(F)F)c1 Show InChI InChI=1S/C20H17F3N2O4/c1-27-14-4-2-3-13(7-14)10-25-19(26)15(18(24-25)20(21,22)23)8-12-5-6-16-17(9-12)29-11-28-16/h2-7,9,24H,8,10-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	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