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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50261137'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50261137
PNG
(CHEMBL4102647 | US10836758, Example 11)
Show SMILES Fc1cc(NCC2CCOCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C15H17ClFN3O3S2/c16-11-7-14(25(21,22)20-15-18-3-6-24-15)12(17)8-13(11)19-9-10-1-4-23-5-2-10/h3,6-8,10,19H,1-2,4-5,9H2,(H,18,20)
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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 expressed in baculovirus-infected insect cells using 7-Benzoyloxy-4-trifluoromethyl coumarin substrate in pres...

Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
BindingDB Entry DOI: 10.7270/Q20V8G8N
More data for this
Ligand-Target Pair