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BDBM143147 US8940739, G-50

SMILES: Cn1cc(C(=O)Nc2ccc(nc2)N2CCN(CC2)C2CCCC2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12

InChI Key: InChIKey=NNTFXIZLDBUGCH-HDDQQDLYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 143147   
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 3A


(Homo sapiens (Human))
BDBM143147
PNG
(US8940739, G-50)
Show SMILES Cn1cc(C(=O)Nc2ccc(nc2)N2CCN(CC2)C2CCCC2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12
Show InChI InChI=1/C49H56N10O5/c1-3-22-57-33-45(61)58-42(27-34-16-19-39(60)20-17-34)48(63)56(32-44(58)59(57)49(64)51-28-35-10-5-4-6-11-35)30-36-12-9-15-40-41(31-53(2)46(36)40)47(62)52-37-18-21-43(50-29-37)55-25-23-54(24-26-55)38-13-7-8-14-38/h3-6,9-12,15-21,29,31,38,42,44,60H,1,7-8,13-14,22-28,30,32-33H2,2H3,(H,51,64)(H,52,62)/t42-,44-/s2
PDB
MMDB

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PC sid
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Similars

US Patent
n/an/a 1.72E+4n/an/an/an/a7.4n/a



JW Pharmaceutical Corporation

US Patent


Assay Description
This assay was performed in a 200 l volume in 96-well microtiter plates using cDNA-expressed human hepatic CYP3A4 (supersome, BD Gentest #456202). As...


US Patent US8940739 (2015)


BindingDB Entry DOI: 10.7270/Q26W98SG
More data for this
Ligand-Target Pair