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BDBM236474 US9365576, 230

SMILES: COC[C@@H](C)n1c(cc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1ccc(F)c(Cl)c1)-c1cnc(N)nc1OC

InChI Key: InChIKey=FGPTWTSRUGMJDE-AKEGGMAPNA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 236474   
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))
BDBM236474
PNG
(US9365576, 230)
Show SMILES COC[C@@H](C)n1c(cc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1ccc(F)c(Cl)c1)-c1cnc(N)nc1OC
Show InChI InChI=1/C27H24Cl2FN5O3/c1-14(13-37-2)34-22(19-12-32-27(31)33-25(19)38-3)11-18-24(34)23(15-4-6-16(28)7-5-15)35(26(18)36)17-8-9-21(30)20(29)10-17/h4-12,14,23H,13H2,1-3H3,(H2,31,32,33)/t14-,23-/s2
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 281n/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