new BindingDB logo
myBDB logout

BDBM236433 US9365576, 186

SMILES: COc1ncc(-c2cc3C(=O)N([C@H](c3n2C(C)C)c2ccc(cc2)C#N)c2cc(Cl)c(=O)n(C)c2)c(OC)n1

InChI Key: InChIKey=AMVOKCMSEMEARJ-QWVACARCNA-N

Data: 1 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 1 hit for monomerid = 236433   
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))
BDBM236433
PNG
(US9365576, 186)
Show SMILES COc1ncc(-c2cc3C(=O)N([C@H](c3n2C(C)C)c2ccc(cc2)C#N)c2cc(Cl)c(=O)n(C)c2)c(OC)n1 |r|
Show InChI InChI=1/C28H25ClN6O4/c1-15(2)34-22(20-13-31-28(39-5)32-25(20)38-4)11-19-24(34)23(17-8-6-16(12-30)7-9-17)35(26(19)36)18-10-21(29)27(37)33(3)14-18/h6-11,13-15,23H,1-5H3/t23-/s2
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.108n/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