BDBM50023357 CHEMBL3329776

SMILES: COc1cc(OC)cc(\C=C\c2ccc(CCC(OS(C)(=O)=O)C(C)(C)C)cc2)c1

InChI Key: InChIKey=ZSIANVFNRRYAFE-VAWYXSNFSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50023357   

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
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial (Mus musculus)	BDBM50023357 (CHEMBL3329776) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(CCC(OS(C)(=O)=O)C(C)(C)C)cc2)c1 Show InChI InChI=1S/C24H32O5S/c1-24(2,3)23(29-30(6,25)26)14-13-19-9-7-18(8-10-19)11-12-20-15-21(27-4)17-22(16-20)28-5/h7-12,15-17,23H,13-14H2,1-6H3/b12-11+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of mouse CYP27B1 using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reductase and NADPH incubated at 37 degC for 2...				J Med Chem 57: 7702-15 (2014) Article DOI: 10.1021/jm5009314 BindingDB Entry DOI: 10.7270/Q2DN46ND
					More data for this Ligand-Target Pair
Cytochrome P450 24A1 (Homo sapiens (Human))	BDBM50023357 (CHEMBL3329776) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(CCC(OS(C)(=O)=O)C(C)(C)C)cc2)c1 Show InChI InChI=1S/C24H32O5S/c1-24(2,3)23(29-30(6,25)26)14-13-19-9-7-18(8-10-19)11-12-20-15-21(27-4)17-22(16-20)28-5/h7-12,15-17,23H,13-14H2,1-6H3/b12-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...				J Med Chem 57: 7702-15 (2014) Article DOI: 10.1021/jm5009314 BindingDB Entry DOI: 10.7270/Q2DN46ND
					More data for this Ligand-Target Pair
Cytochrome P450 24A1 (Homo sapiens (Human))	BDBM50023357 (CHEMBL3329776) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(CCC(OS(C)(=O)=O)C(C)(C)C)cc2)c1 Show InChI InChI=1S/C24H32O5S/c1-24(2,3)23(29-30(6,25)26)14-13-19-9-7-18(8-10-19)11-12-20-15-21(27-4)17-22(16-20)28-5/h7-12,15-17,23H,13-14H2,1-6H3/b12-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...				J Med Chem 57: 7702-15 (2014) Article DOI: 10.1021/jm5009314 BindingDB Entry DOI: 10.7270/Q2DN46ND
					More data for this Ligand-Target Pair