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BDBM236485 US9365576, 241

SMILES: COc1ncc(cn1)-c1cc2C(=O)N(C(c2n1C1CC1)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1

InChI Key: InChIKey=XCDMZCXVXUNWIF-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 = 236485   
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))
BDBM236485
PNG
(US9365576, 241)
Show SMILES COc1ncc(cn1)-c1cc2C(=O)N(C(c2n1C1CC1)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C27H24ClN5O3/c1-15-10-20(14-31(2)25(15)34)33-23(16-4-6-18(28)7-5-16)24-21(26(33)35)11-22(32(24)19-8-9-19)17-12-29-27(36-3)30-13-17/h4-7,10-14,19,23H,8-9H2,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+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))
BDBM236485
PNG
(US9365576, 241)
Show SMILES COc1ncc(cn1)-c1cc2C(=O)N(C(c2n1C1CC1)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C27H24ClN5O3/c1-15-10-20(14-31(2)25(15)34)33-23(16-4-6-18(28)7-5-16)24-21(26(33)35)11-22(32(24)19-8-9-19)17-12-29-27(36-3)30-13-17/h4-7,10-14,19,23H,8-9H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.92E+3n/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