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BDBM50375215 CHEMBL538591

SMILES: CCCN(CCc1ccc(Cl)c(Cl)c1)CC(O)c1cc(C)ccn1

InChI Key: InChIKey=BLDQXLMFISDTGV-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 = 50375215   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Sterol 14α-demethylase (CYP51)


(Homo sapiens (Human))		BDBM50375215
PNG
(CHEMBL538591)
Show SMILES CCCN(CCc1ccc(Cl)c(Cl)c1)CC(O)c1cc(C)ccn1
Show InChI InChI=1S/C19H24Cl2N2O/c1-3-9-23(10-7-15-4-5-16(20)17(21)12-15)13-19(24)18-11-14(2)6-8-22-18/h4-6,8,11-12,19,24H,3,7,9-10,13H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>1.00E+6n/an/an/an/an/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