BDBM50089716 4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3-methoxy-benzyl)-5-phenyl-2H-pyrazole-3-carboxylic acid::CHEMBL26474

SMILES: COc1cccc(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)c1

InChI Key: InChIKey=FGOULBWWTIMGSP-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50089716   

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)	BDBM50089716 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3-meth...) Show SMILES COc1cccc(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)c1 Show InChI InChI=1S/C26H21ClN2O5/c1-32-19-9-5-6-16(10-19)14-29-25(26(30)31)20(24(28-29)17-7-3-2-4-8-17)11-18-12-22-23(13-21(18)27)34-15-33-22/h2-10,12-13H,11,14-15H2,1H3,(H,30,31)	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 inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 1351-5 (2000) BindingDB Entry DOI: 10.7270/Q2ZK5FW3
					More data for this Ligand-Target Pair
EDNRA (RAT)	BDBM50089716 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3-meth...) Show SMILES COc1cccc(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)c1 Show InChI InChI=1S/C26H21ClN2O5/c1-32-19-9-5-6-16(10-19)14-29-25(26(30)31)20(24(28-29)17-7-3-2-4-8-17)11-18-12-22-23(13-21(18)27)34-15-33-22/h2-10,12-13H,11,14-15H2,1H3,(H,30,31)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	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)	BDBM50089716 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3-meth...) Show SMILES COc1cccc(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)c1 Show InChI InChI=1S/C26H21ClN2O5/c1-32-19-9-5-6-16(10-19)14-29-25(26(30)31)20(24(28-29)17-7-3-2-4-8-17)11-18-12-22-23(13-21(18)27)34-15-33-22/h2-10,12-13H,11,14-15H2,1H3,(H,30,31)	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 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)	BDBM50089716 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3-meth...) Show SMILES COc1cccc(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)c1 Show InChI InChI=1S/C26H21ClN2O5/c1-32-19-9-5-6-16(10-19)14-29-25(26(30)31)20(24(28-29)17-7-3-2-4-8-17)11-18-12-22-23(13-21(18)27)34-15-33-22/h2-10,12-13H,11,14-15H2,1H3,(H,30,31)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay				Bioorg Med Chem Lett 10: 1351-5 (2000) BindingDB Entry DOI: 10.7270/Q2ZK5FW3
					More data for this Ligand-Target Pair