BDBM50023356 CHEMBL3329775

SMILES: CC(C)(C)C(CCc1ccc(\C=C\c2ccccc2)cc1)OS(C)(=O)=O

InChI Key: InChIKey=PMPTWNKLAJIRNJ-ZHACJKMWSA-N

Data: 1 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 2 hits for monomerid = 50023356   

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
Cytochrome P450 24A1 (Homo sapiens (Human))	BDBM50023356 (CHEMBL3329775) Show SMILES CC(C)(C)C(CCc1ccc(\C=C\c2ccccc2)cc1)OS(C)(=O)=O Show InChI InChI=1S/C22H28O3S/c1-22(2,3)21(25-26(4,23)24)17-16-20-14-12-19(13-15-20)11-10-18-8-6-5-7-9-18/h5-15,21H,16-17H2,1-4H3/b11-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	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))	BDBM50023356 (CHEMBL3329775) Show SMILES CC(C)(C)C(CCc1ccc(\C=C\c2ccccc2)cc1)OS(C)(=O)=O Show InChI InChI=1S/C22H28O3S/c1-22(2,3)21(25-26(4,23)24)17-16-20-14-12-19(13-15-20)11-10-18-8-6-5-7-9-18/h5-15,21H,16-17H2,1-4H3/b11-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+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