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BDBM50418096 CHEMBL1743364

SMILES: COc1ccc(OCCCN(C)CCOc2ccc3OCOc3c2)c(c1)C1Sc2ccccc2N1C(C)=C

InChI Key: InChIKey=LUCNJYCJDPSOOJ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50418096   
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
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50418096
PNG
(CHEMBL1743364)
Show SMILES COc1ccc(OCCCN(C)CCOc2ccc3OCOc3c2)c(c1)C1Sc2ccccc2N1C(C)=C
Show InChI InChI=1S/C30H34N2O5S/c1-21(2)32-25-8-5-6-9-29(25)38-30(32)24-18-22(33-4)10-12-26(24)35-16-7-14-31(3)15-17-34-23-11-13-27-28(19-23)37-20-36-27/h5-6,8-13,18-19,30H,1,7,14-17,20H2,2-4H3
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MMDB

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 250n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylation

Curr Drug Metab 6: 413-54 (2005)


BindingDB Entry DOI: 10.7270/Q2VQ33X3
More data for this
Ligand-Target Pair