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BDBM50272597 (trans-2-(4-chlorobenzyl)-3-(4-chlorophenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4 carboxylic acid)::CHEMBL497305

SMILES: OC(=O)[C@H]1[C@@H](N(Cc2ccc(Cl)cc2)C(=O)c2ccccc12)c1ccc(Cl)cc1

InChI Key: InChIKey=XIYILCWDRBCFJW-RTWAWAEBSA-N

Data: 3 Kd

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 = 50272597   
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
MDM2-MDMX


(Homo sapiens (Human))
BDBM50272597
PNG
((trans-2-(4-chlorobenzyl)-3-(4-chlorophenyl)-1-oxo...)
Show SMILES OC(=O)[C@H]1[C@@H](N(Cc2ccc(Cl)cc2)C(=O)c2ccccc12)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H17Cl2NO3/c24-16-9-5-14(6-10-16)13-26-21(15-7-11-17(25)12-8-15)20(23(28)29)18-3-1-2-4-19(18)22(26)27/h1-12,20-21H,13H2,(H,28,29)/t20-,21+/m1/s1
PDB
MMDB

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Article
PubMed
n/an/an/a 8.00E+3n/an/an/an/an/a



Institute for Biochemistry

Curated by ChEMBL


Assay Description
Binding affinity to human wild type Mdm2 by NMR ligand-protein binary titration


J Med Chem 51: 5035-42 (2008)


Article DOI: 10.1021/jm8002813
BindingDB Entry DOI: 10.7270/Q2CZ3821
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50272597
PNG
((trans-2-(4-chlorobenzyl)-3-(4-chlorophenyl)-1-oxo...)
Show SMILES OC(=O)[C@H]1[C@@H](N(Cc2ccc(Cl)cc2)C(=O)c2ccccc12)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H17Cl2NO3/c24-16-9-5-14(6-10-16)13-26-21(15-7-11-17(25)12-8-15)20(23(28)29)18-3-1-2-4-19(18)22(26)27/h1-12,20-21H,13H2,(H,28,29)/t20-,21+/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 2.00E+3n/an/an/an/an/a



Institute for Biochemistry

Curated by ChEMBL


Assay Description
Binding affinity to human wild type Mdm2 by NMR ligand-protein binary titration


J Med Chem 51: 5035-42 (2008)


Article DOI: 10.1021/jm8002813
BindingDB Entry DOI: 10.7270/Q2CZ3821
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50272597
PNG
((trans-2-(4-chlorobenzyl)-3-(4-chlorophenyl)-1-oxo...)
Show SMILES OC(=O)[C@H]1[C@@H](N(Cc2ccc(Cl)cc2)C(=O)c2ccccc12)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H17Cl2NO3/c24-16-9-5-14(6-10-16)13-26-21(15-7-11-17(25)12-8-15)20(23(28)29)18-3-1-2-4-19(18)22(26)27/h1-12,20-21H,13H2,(H,28,29)/t20-,21+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 2.00E+3n/an/an/an/an/a



Institute for Biochemistry

Curated by ChEMBL


Assay Description
Binding affinity to human wild type Mdm2 by isothermal titration calorimetry


J Med Chem 51: 5035-42 (2008)


Article DOI: 10.1021/jm8002813
BindingDB Entry DOI: 10.7270/Q2CZ3821
More data for this
Ligand-Target Pair