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BDBM236476 US9365576, 232

SMILES: COc1nc(ncc1-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(cc1)C#N)c1cc(Cl)c(=O)n(C)c1)N(C)C

InChI Key: InChIKey=LXWPKTFVYXPXGO-FQKVKQEKNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 236476   
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
p53-MDM2


(Homo sapiens (Human))
BDBM236476
PNG
(US9365576, 232)
Show SMILES COc1nc(ncc1-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(cc1)C#N)c1cc(Cl)c(=O)n(C)c1)N(C)C |r|
Show InChI InChI=1/C29H28ClN7O3/c1-16(2)36-23(21-14-32-29(34(3)4)33-26(21)40-6)12-20-25(36)24(18-9-7-17(13-31)8-10-18)37(27(20)38)19-11-22(30)28(39)35(5)15-19/h7-12,14-16,24H,1-6H3/t24-/s2
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.0690n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


US Patent US9365576 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43XR
More data for this
Ligand-Target Pair