BDBM50093990 4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohexylmethyl-5-pyridin-3-yl-2H-pyrazole-3-carboxylic acid::CHEMBL314357

SMILES: OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1cccnc1

InChI Key: InChIKey=TVAKORWNEAPJFV-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 = 50093990   

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)	BDBM50093990 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1cccnc1 Show InChI InChI=1S/C24H24ClN3O4/c25-19-11-21-20(31-14-32-21)10-17(19)9-18-22(16-7-4-8-26-12-16)27-28(23(18)24(29)30)13-15-5-2-1-3-6-15/h4,7-8,10-12,15H,1-3,5-6,9,13-14H2,(H,29,30)	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)	BDBM50093990 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1cccnc1 Show InChI InChI=1S/C24H24ClN3O4/c25-19-11-21-20(31-14-32-21)10-17(19)9-18-22(16-7-4-8-26-12-16)27-28(23(18)24(29)30)13-15-5-2-1-3-6-15/h4,7-8,10-12,15H,1-3,5-6,9,13-14H2,(H,29,30)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.30	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