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BDBM236312 US9365576, 65

SMILES: COc1ccc(cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)[C@H]1CC[C@H](O)CC1)C(O)=O

InChI Key: InChIKey=GURPQWNCJZANIK-YOQWSDCESA-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 = 236312   
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))
BDBM236312
PNG
(US9365576, 65)
Show SMILES COc1ccc(cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)[C@H]1CC[C@H](O)CC1)C(O)=O |r,wU:30.34,wD:27.30,(4.68,5.6,;3.91,4.26,;4.68,2.93,;6.22,2.93,;6.99,1.6,;6.22,.26,;4.68,.26,;3.91,1.6,;2.37,1.6,;1.46,2.84,;,2.37,;-1.46,2.84,;-2.23,4.18,;-2.37,1.6,;-1.46,.35,;,.83,;1.46,.35,;1.86,-1.14,;.77,-2.22,;3.35,-1.53,;-1.86,-1.14,;-3.35,-1.53,;-3.75,-3.02,;-2.66,-4.11,;-3.06,-5.6,;-1.17,-3.71,;-.77,-2.22,;-3.91,1.6,;-4.68,2.93,;-6.22,2.93,;-6.99,1.6,;-8.53,1.6,;-6.22,.26,;-4.68,.26,;6.99,-1.07,;8.53,-1.07,;6.22,-2.4,)|
Show InChI InChI=1S/C29H31ClN2O5/c1-16(2)31-24(22-14-18(29(35)36)6-13-25(22)37-3)15-23-27(31)26(17-4-7-19(30)8-5-17)32(28(23)34)20-9-11-21(33)12-10-20/h4-8,13-16,20-21,26,33H,9-12H2,1-3H3,(H,35,36)/t20-,21-,26?
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12.3n/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
p53-MDM2


(Homo sapiens (Human))
BDBM236312
PNG
(US9365576, 65)
Show SMILES COc1ccc(cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)[C@H]1CC[C@H](O)CC1)C(O)=O |r,wU:30.34,wD:27.30,(4.68,5.6,;3.91,4.26,;4.68,2.93,;6.22,2.93,;6.99,1.6,;6.22,.26,;4.68,.26,;3.91,1.6,;2.37,1.6,;1.46,2.84,;,2.37,;-1.46,2.84,;-2.23,4.18,;-2.37,1.6,;-1.46,.35,;,.83,;1.46,.35,;1.86,-1.14,;.77,-2.22,;3.35,-1.53,;-1.86,-1.14,;-3.35,-1.53,;-3.75,-3.02,;-2.66,-4.11,;-3.06,-5.6,;-1.17,-3.71,;-.77,-2.22,;-3.91,1.6,;-4.68,2.93,;-6.22,2.93,;-6.99,1.6,;-8.53,1.6,;-6.22,.26,;-4.68,.26,;6.99,-1.07,;8.53,-1.07,;6.22,-2.4,)|
Show InChI InChI=1S/C29H31ClN2O5/c1-16(2)31-24(22-14-18(29(35)36)6-13-25(22)37-3)15-23-27(31)26(17-4-7-19(30)8-5-17)32(28(23)34)20-9-11-21(33)12-10-20/h4-8,13-16,20-21,26,33H,9-12H2,1-3H3,(H,35,36)/t20-,21-,26?
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.91n/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))
BDBM236312
PNG
(US9365576, 65)
Show SMILES COc1ccc(cc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)[C@H]1CC[C@H](O)CC1)C(O)=O |r,wU:30.34,wD:27.30,(4.68,5.6,;3.91,4.26,;4.68,2.93,;6.22,2.93,;6.99,1.6,;6.22,.26,;4.68,.26,;3.91,1.6,;2.37,1.6,;1.46,2.84,;,2.37,;-1.46,2.84,;-2.23,4.18,;-2.37,1.6,;-1.46,.35,;,.83,;1.46,.35,;1.86,-1.14,;.77,-2.22,;3.35,-1.53,;-1.86,-1.14,;-3.35,-1.53,;-3.75,-3.02,;-2.66,-4.11,;-3.06,-5.6,;-1.17,-3.71,;-.77,-2.22,;-3.91,1.6,;-4.68,2.93,;-6.22,2.93,;-6.99,1.6,;-8.53,1.6,;-6.22,.26,;-4.68,.26,;6.99,-1.07,;8.53,-1.07,;6.22,-2.4,)|
Show InChI InChI=1S/C29H31ClN2O5/c1-16(2)31-24(22-14-18(29(35)36)6-13-25(22)37-3)15-23-27(31)26(17-4-7-19(30)8-5-17)32(28(23)34)20-9-11-21(33)12-10-20/h4-8,13-16,20-21,26,33H,9-12H2,1-3H3,(H,35,36)/t20-,21-,26?
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.79E+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