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BDBM236279 US9365576, 32

SMILES: CNC(=O)c1ccc(OC)c(c1)-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C

InChI Key: InChIKey=JQUIAIKLJOCMEX-LJAQVGFWSA-N

Data: 3 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 3 hits for monomerid = 236279   
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))
BDBM236279
PNG
(US9365576, 32)
Show SMILES CNC(=O)c1ccc(OC)c(c1)-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C |r|
Show InChI InChI=1S/C32H31Cl2N3O3/c1-17(2)36-27(24-14-20(31(38)35-5)8-12-28(24)40-6)16-25-30(36)29(23-11-10-21(33)13-19(23)4)37(32(25)39)26-15-22(34)9-7-18(26)3/h7-17,29H,1-6H3,(H,35,38)/t29-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/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
p53-MDM2


(Homo sapiens (Human))
BDBM236279
PNG
(US9365576, 32)
Show SMILES CNC(=O)c1ccc(OC)c(c1)-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C |r|
Show InChI InChI=1S/C32H31Cl2N3O3/c1-17(2)36-27(24-14-20(31(38)35-5)8-12-28(24)40-6)16-25-30(36)29(23-11-10-21(33)13-19(23)4)37(32(25)39)26-15-22(34)9-7-18(26)3/h7-17,29H,1-6H3,(H,35,38)/t29-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0940n/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
p53-MDM4


(Homo sapiens (Human))
BDBM236279
PNG
(US9365576, 32)
Show SMILES CNC(=O)c1ccc(OC)c(c1)-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C |r|
Show InChI InChI=1S/C32H31Cl2N3O3/c1-17(2)36-27(24-14-20(31(38)35-5)8-12-28(24)40-6)16-25-30(36)29(23-11-10-21(33)13-19(23)4)37(32(25)39)26-15-22(34)9-7-18(26)3/h7-17,29H,1-6H3,(H,35,38)/t29-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 264n/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