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BDBM236248 US9365576, 1

SMILES: COc1ccccc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cccc(Cl)c1F

InChI Key: InChIKey=HPUAUMBBZXSYGE-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 236248   
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-MDM4


(Homo sapiens (Human))
BDBM236248
PNG
(US9365576, 1)
Show SMILES COc1ccccc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cccc(Cl)c1F
Show InChI InChI=1S/C29H25Cl2FN2O2/c1-16(2)33-24(20-8-5-6-11-25(20)36-4)15-21-28(33)27(19-13-12-18(30)14-17(19)3)34(29(21)35)23-10-7-9-22(31)26(23)32/h5-16,27H,1-4H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.78E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
Assay 1: 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
p53-MDM2


(Homo sapiens (Human))
BDBM236248
PNG
(US9365576, 1)
Show SMILES COc1ccccc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cccc(Cl)c1F
Show InChI InChI=1S/C29H25Cl2FN2O2/c1-16(2)33-24(20-8-5-6-11-25(20)36-4)15-21-28(33)27(19-13-12-18(30)14-17(19)3)34(29(21)35)23-10-7-9-22(31)26(23)32/h5-16,27H,1-4H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.5n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
Assay 1: 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