BDBM50093979 4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-[1,3]dioxolan-2-ylmethyl-5-phenyl-2H-pyrazole-3-carboxylic acid::CHEMBL86821

SMILES: OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1OCCO1)-c1ccccc1

InChI Key: InChIKey=HOOPNCCFKSIVCO-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 = 50093979   

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
EDNRA (RAT)	BDBM50093979 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-[1,3]di...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1OCCO1)-c1ccccc1 Show InChI InChI=1S/C22H19ClN2O6/c23-16-10-18-17(30-12-31-18)9-14(16)8-15-20(13-4-2-1-3-5-13)24-25(21(15)22(26)27)11-19-28-6-7-29-19/h1-5,9-10,19H,6-8,11-12H2,(H,26,27)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	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
EDNRB (RAT)	BDBM50093979 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-[1,3]di...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1OCCO1)-c1ccccc1 Show InChI InChI=1S/C22H19ClN2O6/c23-16-10-18-17(30-12-31-18)9-14(16)8-15-20(13-4-2-1-3-5-13)24-25(21(15)22(26)27)11-19-28-6-7-29-19/h1-5,9-10,19H,6-8,11-12H2,(H,26,27)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	953	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