BDBM50093986 2-(2-Carboxymethoxy-benzyl)-4-(6-chloro-benzo[1,3]dioxol-5-ylmethyl)-5-thiophen-2-yl-2H-pyrazole-3-carboxylic acid::CHEMBL87801

SMILES: OC(=O)COc1ccccc1Cn1nc(c(Cc2cc3OCOc3cc2Cl)c1C(O)=O)-c1cccs1

InChI Key: InChIKey=JLERAZZBMUMEDZ-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 = 50093986   

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)	BDBM50093986 (2-(2-Carboxymethoxy-benzyl)-4-(6-chloro-benzo[1,3]...) Show SMILES OC(=O)COc1ccccc1Cn1nc(c(Cc2cc3OCOc3cc2Cl)c1C(O)=O)-c1cccs1 Show InChI InChI=1S/C25H19ClN2O7S/c26-17-10-20-19(34-13-35-20)9-15(17)8-16-23(21-6-3-7-36-21)27-28(24(16)25(31)32)11-14-4-1-2-5-18(14)33-12-22(29)30/h1-7,9-10H,8,11-13H2,(H,29,30)(H,31,32)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60	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)	BDBM50093986 (2-(2-Carboxymethoxy-benzyl)-4-(6-chloro-benzo[1,3]...) Show SMILES OC(=O)COc1ccccc1Cn1nc(c(Cc2cc3OCOc3cc2Cl)c1C(O)=O)-c1cccs1 Show InChI InChI=1S/C25H19ClN2O7S/c26-17-10-20-19(34-13-35-20)9-15(17)8-16-23(21-6-3-7-36-21)27-28(24(16)25(31)32)11-14-4-1-2-5-18(14)33-12-22(29)30/h1-7,9-10H,8,11-13H2,(H,29,30)(H,31,32)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	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