BDBM50089727 2,4-Bis-benzo[1,3]dioxol-5-ylmethyl-5-trifluoromethyl-2H-pyrazol-3-ol::CHEMBL29956::CHEMBL3144602

SMILES: FC(F)(F)c1[nH]n(Cc2ccc3OCOc3c2)c(=O)c1Cc1ccc2OCOc2c1

InChI Key: InChIKey=GSYUSCVEJUNUJA-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 = 50089727   

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)	BDBM50089727 (2,4-Bis-benzo[1,3]dioxol-5-ylmethyl-5-trifluoromet...) Show SMILES FC(F)(F)c1[nH]n(Cc2ccc3OCOc3c2)c(=O)c1Cc1ccc2OCOc2c1 Show InChI InChI=1S/C20H15F3N2O5/c21-20(22,23)18-13(5-11-1-3-14-16(6-11)29-9-27-14)19(26)25(24-18)8-12-2-4-15-17(7-12)30-10-28-15/h1-4,6-7,24H,5,8-10H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+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)	BDBM50089727 (2,4-Bis-benzo[1,3]dioxol-5-ylmethyl-5-trifluoromet...) Show SMILES FC(F)(F)c1[nH]n(Cc2ccc3OCOc3c2)c(=O)c1Cc1ccc2OCOc2c1 Show InChI InChI=1S/C20H15F3N2O5/c21-20(22,23)18-13(5-11-1-3-14-16(6-11)29-9-27-14)19(26)25(24-18)8-12-2-4-15-17(7-12)30-10-28-15/h1-4,6-7,24H,5,8-10H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.60E+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