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BDBM236484 US9365576, 240

SMILES: COc1ncc(-c2cc3C(=O)N(C(c3n2C2CC2)c2ccc(Cl)cc2)c2cc(C)c(=O)n(C)c2)c(OC)n1

InChI Key: InChIKey=OLPKXDUPEZNXEA-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 = 236484   
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))
BDBM236484
PNG
(US9365576, 240)
Show SMILES COc1ncc(-c2cc3C(=O)N(C(c3n2C2CC2)c2ccc(Cl)cc2)c2cc(C)c(=O)n(C)c2)c(OC)n1
Show InChI InChI=1S/C28H26ClN5O4/c1-15-11-19(14-32(2)26(15)35)34-23(16-5-7-17(29)8-6-16)24-20(27(34)36)12-22(33(24)18-9-10-18)21-13-30-28(38-4)31-25(21)37-3/h5-8,11-14,18,23H,9-10H2,1-4H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.76E+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))
BDBM236484
PNG
(US9365576, 240)
Show SMILES COc1ncc(-c2cc3C(=O)N(C(c3n2C2CC2)c2ccc(Cl)cc2)c2cc(C)c(=O)n(C)c2)c(OC)n1
Show InChI InChI=1S/C28H26ClN5O4/c1-15-11-19(14-32(2)26(15)35)34-23(16-5-7-17(29)8-6-16)24-20(27(34)36)12-22(33(24)18-9-10-18)21-13-30-28(38-4)31-25(21)37-3/h5-8,11-14,18,23H,9-10H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 33.3n/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