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BDBM236254 US9365576, 7

SMILES: CNC(=O)c1ccc(OC)c(c1)-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1C)c1cccc(Cl)c1F

InChI Key: InChIKey=CJCXKFFSPDPEDJ-NDEPHWFRSA-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 = 236254   
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))
BDBM236254
PNG
(US9365576, 7)
Show SMILES CNC(=O)c1ccc(OC)c(c1)-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1C)c1cccc(Cl)c1F |r|
Show InChI InChI=1S/C31H28Cl2FN3O3/c1-16(2)36-25(21-14-18(30(38)35-4)9-12-26(21)40-5)15-22-29(36)28(20-11-10-19(32)13-17(20)3)37(31(22)39)24-8-6-7-23(33)27(24)34/h6-16,28H,1-5H3,(H,35,38)/t28-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/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))
BDBM236254
PNG
(US9365576, 7)
Show SMILES CNC(=O)c1ccc(OC)c(c1)-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1C)c1cccc(Cl)c1F |r|
Show InChI InChI=1S/C31H28Cl2FN3O3/c1-16(2)36-25(21-14-18(30(38)35-4)9-12-26(21)40-5)15-22-29(36)28(20-11-10-19(32)13-17(20)3)37(31(22)39)24-8-6-7-23(33)27(24)34/h6-16,28H,1-5H3,(H,35,38)/t28-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.119n/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))
BDBM236254
PNG
(US9365576, 7)
Show SMILES CNC(=O)c1ccc(OC)c(c1)-c1cc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1C)c1cccc(Cl)c1F |r|
Show InChI InChI=1S/C31H28Cl2FN3O3/c1-16(2)36-25(21-14-18(30(38)35-4)9-12-26(21)40-5)15-22-29(36)28(20-11-10-19(32)13-17(20)3)37(31(22)39)24-8-6-7-23(33)27(24)34/h6-16,28H,1-5H3,(H,35,38)/t28-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 508n/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