BDBM50093998 4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3-chloro-benzyl)-5-phenyl-2H-pyrazole-3-carboxylic acid::CHEMBL315622

SMILES: OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1cccc(Cl)c1)-c1ccccc1

InChI Key: InChIKey=DOMPWTSDHIQDOH-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 = 50093998   

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)	BDBM50093998 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3-chlo...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1cccc(Cl)c1)-c1ccccc1 Show InChI InChI=1S/C25H18Cl2N2O4/c26-18-8-4-5-15(9-18)13-29-24(25(30)31)19(23(28-29)16-6-2-1-3-7-16)10-17-11-21-22(12-20(17)27)33-14-32-21/h1-9,11-12H,10,13-14H2,(H,30,31)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	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
EDNRA (RAT)	BDBM50093998 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3-chlo...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1cccc(Cl)c1)-c1ccccc1 Show InChI InChI=1S/C25H18Cl2N2O4/c26-18-8-4-5-15(9-18)13-29-24(25(30)31)19(23(28-29)16-6-2-1-3-7-16)10-17-11-21-22(12-20(17)27)33-14-32-21/h1-9,11-12H,10,13-14H2,(H,30,31)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	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