BDBM50027687 CHEMBL3344401

SMILES: COc1cc(OC)cc(\C=C\c2cccc3n(CCCCNS(=O)(=O)c4ccc(C)cc4)ccc23)c1

InChI Key: InChIKey=MKSOLNWGSYDLBC-VAWYXSNFSA-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 = 50027687   

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))	BDBM50027687 (CHEMBL3344401) Show SMILES COc1cc(OC)cc(\C=C\c2cccc3n(CCCCNS(=O)(=O)c4ccc(C)cc4)ccc23)c1 Show InChI InChI=1S/C29H32N2O4S/c1-22-9-13-27(14-10-22)36(32,33)30-16-4-5-17-31-18-15-28-24(7-6-8-29(28)31)12-11-23-19-25(34-2)21-26(20-23)35-3/h6-15,18-21,30H,4-5,16-17H2,1-3H3/b12-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	740	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 N-terminally MBP-fused human CYP24A1 by cell-free assay				Eur J Med Chem 87: 39-51 (2014) Article DOI: 10.1016/j.ejmech.2014.09.035 BindingDB Entry DOI: 10.7270/Q2SF2XR1
					More data for this Ligand-Target Pair
Cytochrome P450 24A1 (Homo sapiens (Human))	BDBM50027687 (CHEMBL3344401) Show SMILES COc1cc(OC)cc(\C=C\c2cccc3n(CCCCNS(=O)(=O)c4ccc(C)cc4)ccc23)c1 Show InChI InChI=1S/C29H32N2O4S/c1-22-9-13-27(14-10-22)36(32,33)30-16-4-5-17-31-18-15-28-24(7-6-8-29(28)31)12-11-23-19-25(34-2)21-26(20-23)35-3/h6-15,18-21,30H,4-5,16-17H2,1-3H3/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	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay				Eur J Med Chem 87: 39-51 (2014) Article DOI: 10.1016/j.ejmech.2014.09.035 BindingDB Entry DOI: 10.7270/Q2SF2XR1
					More data for this Ligand-Target Pair