BDBM50093991 4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3,4-dichloro-benzyl)-5-phenyl-2H-pyrazole-3-carboxylic acid::CHEMBL313920

SMILES: OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1ccc(Cl)c(Cl)c1)-c1ccccc1

InChI Key: InChIKey=XQWAYNIFJGEXDK-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 = 50093991   

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 (RAT)	BDBM50093991 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3,4-di...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1ccc(Cl)c(Cl)c1)-c1ccccc1 Show InChI InChI=1S/C25H17Cl3N2O4/c26-18-7-6-14(8-20(18)28)12-30-24(25(31)32)17(23(29-30)15-4-2-1-3-5-15)9-16-10-21-22(11-19(16)27)34-13-33-21/h1-8,10-11H,9,12-13H2,(H,31,32)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50093991 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3,4-di...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1ccc(Cl)c(Cl)c1)-c1ccccc1 Show InChI InChI=1S/C25H17Cl3N2O4/c26-18-7-6-14(8-20(18)28)12-30-24(25(31)32)17(23(29-30)15-4-2-1-3-5-15)9-16-10-21-22(11-19(16)27)34-13-33-21/h1-8,10-11H,9,12-13H2,(H,31,32)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair