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BDBM236350 US9365576, 103

SMILES: COc1ncc(-c2cc3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2C)[C@H]2CC[C@H](O)CC2)c(OC)n1

InChI Key: InChIKey=ILSLYVZMHVQJSJ-MEQCVUQCSA-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 = 236350   
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))
BDBM236350
PNG
(US9365576, 103)
Show SMILES COc1ncc(-c2cc3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2C)[C@H]2CC[C@H](O)CC2)c(OC)n1 |r,wU:29.32,wD:26.28,(8.91,.26,;8.14,1.6,;6.6,1.6,;5.83,.26,;4.29,.26,;3.52,1.6,;1.98,1.6,;1.08,2.84,;-.38,2.37,;-1.85,2.84,;-2.62,4.18,;-2.75,1.6,;-1.85,.35,;-.38,.83,;1.08,.35,;1.48,-1.14,;.39,-2.22,;2.97,-1.53,;-2.25,-1.14,;-1.16,-2.22,;-1.56,-3.71,;-3.05,-4.11,;-3.44,-5.6,;-4.13,-3.02,;-3.74,-1.53,;-4.82,-.45,;-4.29,1.6,;-5.06,2.93,;-6.6,2.93,;-7.37,1.6,;-8.91,1.6,;-6.6,.26,;-5.06,.26,;4.29,2.93,;3.52,4.26,;4.29,5.6,;5.83,2.93,)|
Show InChI InChI=1S/C28H33ClN4O4/c1-15(2)32-23(22-14-30-28(37-5)31-26(22)36-4)13-21-25(32)24(20-11-6-17(29)12-16(20)3)33(27(21)35)18-7-9-19(34)10-8-18/h6,11-15,18-19,24,34H,7-10H2,1-5H3/t18-,19-,24?
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20.7n/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))
BDBM236350
PNG
(US9365576, 103)
Show SMILES COc1ncc(-c2cc3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2C)[C@H]2CC[C@H](O)CC2)c(OC)n1 |r,wU:29.32,wD:26.28,(8.91,.26,;8.14,1.6,;6.6,1.6,;5.83,.26,;4.29,.26,;3.52,1.6,;1.98,1.6,;1.08,2.84,;-.38,2.37,;-1.85,2.84,;-2.62,4.18,;-2.75,1.6,;-1.85,.35,;-.38,.83,;1.08,.35,;1.48,-1.14,;.39,-2.22,;2.97,-1.53,;-2.25,-1.14,;-1.16,-2.22,;-1.56,-3.71,;-3.05,-4.11,;-3.44,-5.6,;-4.13,-3.02,;-3.74,-1.53,;-4.82,-.45,;-4.29,1.6,;-5.06,2.93,;-6.6,2.93,;-7.37,1.6,;-8.91,1.6,;-6.6,.26,;-5.06,.26,;4.29,2.93,;3.52,4.26,;4.29,5.6,;5.83,2.93,)|
Show InChI InChI=1S/C28H33ClN4O4/c1-15(2)32-23(22-14-30-28(37-5)31-26(22)36-4)13-21-25(32)24(20-11-6-17(29)12-16(20)3)33(27(21)35)18-7-9-19(34)10-8-18/h6,11-15,18-19,24,34H,7-10H2,1-5H3/t18-,19-,24?
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 30.1n/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))
BDBM236350
PNG
(US9365576, 103)
Show SMILES COc1ncc(-c2cc3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2C)[C@H]2CC[C@H](O)CC2)c(OC)n1 |r,wU:29.32,wD:26.28,(8.91,.26,;8.14,1.6,;6.6,1.6,;5.83,.26,;4.29,.26,;3.52,1.6,;1.98,1.6,;1.08,2.84,;-.38,2.37,;-1.85,2.84,;-2.62,4.18,;-2.75,1.6,;-1.85,.35,;-.38,.83,;1.08,.35,;1.48,-1.14,;.39,-2.22,;2.97,-1.53,;-2.25,-1.14,;-1.16,-2.22,;-1.56,-3.71,;-3.05,-4.11,;-3.44,-5.6,;-4.13,-3.02,;-3.74,-1.53,;-4.82,-.45,;-4.29,1.6,;-5.06,2.93,;-6.6,2.93,;-7.37,1.6,;-8.91,1.6,;-6.6,.26,;-5.06,.26,;4.29,2.93,;3.52,4.26,;4.29,5.6,;5.83,2.93,)|
Show InChI InChI=1S/C28H33ClN4O4/c1-15(2)32-23(22-14-30-28(37-5)31-26(22)36-4)13-21-25(32)24(20-11-6-17(29)12-16(20)3)33(27(21)35)18-7-9-19(34)10-8-18/h6,11-15,18-19,24,34H,7-10H2,1-5H3/t18-,19-,24?
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.71E+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