BDBM50093999 2-(3-Carboxy-cyclohexylmethyl)-4-(6-chloro-benzo[1,3]dioxol-5-ylmethyl)-5-phenyl-2H-pyrazole-3-carboxylic acid::CHEMBL315936

SMILES: OC(=O)C1CCCC(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)C1

InChI Key: InChIKey=XPAOVPXGNIQZDW-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 = 50093999   

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)	BDBM50093999 (2-(3-Carboxy-cyclohexylmethyl)-4-(6-chloro-benzo[1...) Show SMILES OC(=O)C1CCCC(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)C1 Show InChI InChI=1S/C26H25ClN2O6/c27-20-12-22-21(34-14-35-22)11-18(20)10-19-23(16-6-2-1-3-7-16)28-29(24(19)26(32)33)13-15-5-4-8-17(9-15)25(30)31/h1-3,6-7,11-12,15,17H,4-5,8-10,13-14H2,(H,30,31)(H,32,33)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	15	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)	BDBM50093999 (2-(3-Carboxy-cyclohexylmethyl)-4-(6-chloro-benzo[1...) Show SMILES OC(=O)C1CCCC(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)C1 Show InChI InChI=1S/C26H25ClN2O6/c27-20-12-22-21(34-14-35-22)11-18(20)10-19-23(16-6-2-1-3-7-16)28-29(24(19)26(32)33)13-15-5-4-8-17(9-15)25(30)31/h1-3,6-7,11-12,15,17H,4-5,8-10,13-14H2,(H,30,31)(H,32,33)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.5	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