BDBM50375212 CHEMBL558189

SMILES: CCCN(CCc1ccc(Cl)cc1)CC(O)c1ccncc1

InChI Key: InChIKey=ZPZCUVXPJOUOCA-UHFFFAOYSA-N

Data: 1 Kd

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 1 hit for monomerid = 50375212   

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
Sterol 14α-demethylase (CYP51) (Homo sapiens (Human))	BDBM50375212 (CHEMBL558189) Show SMILES CCCN(CCc1ccc(Cl)cc1)CC(O)c1ccncc1 Show InChI InChI=1S/C18H23ClN2O/c1-2-12-21(13-9-15-3-5-17(19)6-4-15)14-18(22)16-7-10-20-11-8-16/h3-8,10-11,18,22H,2,9,12-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d. d. Curated by ChEMBL					Assay Description Binding affinity to human His-tagged CYP51 expressed in Escherichia coli				Bioorg Med Chem 16: 209-21 (2008) Article DOI: 10.1016/j.bmc.2007.10.001 BindingDB Entry DOI: 10.7270/Q2TQ62DS
					More data for this Ligand-Target Pair