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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 = 'BDBM336604'   
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))
BDBM336604
PNG
(US9744173, Comparator 1)
Show SMILES C[C@H]1C[C@H]2CSC(N)N[C@]2(CO1)c1ncc(NC(=O)c2ccc(OC(F)F)cn2)s1
Show InChI InChI=1S/C18H21F2N5O3S2/c1-9-4-10-7-29-17(21)25-18(10,8-27-9)15-23-6-13(30-15)24-14(26)12-3-2-11(5-22-12)28-16(19)20/h2-3,5-6,9-10,16-17,25H,4,7-8,21H2,1H3,(H,24,26)/t9-,10-,17?,18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40E+4n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CYP2D6 inhibition was obtained by measuring inhibition of 5 uM Dextromethorphan in pooled HLM (HL-MIX-102).


US Patent US9744173 (2017)

More data for this
Ligand-Target Pair