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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 = 'BDBM370452'   
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))		BDBM370452
PNG
(2-(7-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1- cyc...)
Show SMILES OC(CC1c2cc(Cl)ccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C18H21ClN2O/c19-13-6-7-14-15(8-13)16(21-11-20-10-17(14)21)9-18(22)12-4-2-1-3-5-12/h6-8,10-12,16,18,22H,1-5,9H2
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MMDB

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n/an/a 10n/an/an/an/an/an/a



NewLink Genetics Corporation

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate

J Med Chem 62: 6705-6733 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00662
BindingDB Entry DOI: 10.7270/Q21G0QNZ
More data for this
Ligand-Target Pair