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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2D6' and Ligand = 'BDBM50516625'   
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 2D6


(Homo sapiens (Human))		BDBM50516625
PNG
(CHEMBL4459231)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CC[C@@H]([C@H](C)C1)N1CCC[C@H]1CO |r,t:24|
Show InChI InChI=1S/C26H28Cl2N6O/c1-15-10-17(5-8-24(15)33-9-3-4-19(33)14-35)23-13-30-25-22(12-29)32-34(26(25)31-23)16(2)20-7-6-18(27)11-21(20)28/h5-7,11,13,15-16,19,24,35H,3-4,8-10,14H2,1-2H3/t15-,16-,19+,24+/m1/s1
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



RAPT Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

J Med Chem 62: 6190-6213 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00506
BindingDB Entry DOI: 10.7270/Q2571GCP
More data for this
Ligand-Target Pair