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PubMed code 22227462

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50229787
PNG
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)
Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6|
Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
PDB
MMDB

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Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Korea University College of Pharmacy Sejong-ro

Curated by ChEMBL


Assay Description
Inhibition of HDM2 binding to p53


Bioorg Med Chem 20: 1893-901 (2012)


Article DOI: 10.1016/j.bmc.2011.12.016
BindingDB Entry DOI: 10.7270/Q2SQ91HJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-nerve growth factor


(Homo sapiens (Human))
BDBM50396070
PNG
(CHEMBL1397270)
Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C)c2cc1C=O
Show InChI InChI=1S/C13H10N4O3/c1-6-3-8-9(4-7(6)5-18)17(2)11-10(14-8)12(19)16-13(20)15-11/h3-5H,1-2H3,(H,16,19,20)
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antibodypedia
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CHEMBL
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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Korea University College of Pharmacy Sejong-ro

Curated by ChEMBL


Assay Description
Inhibition of NGF binding to p75NTR


Bioorg Med Chem 20: 1893-901 (2012)


Article DOI: 10.1016/j.bmc.2011.12.016
BindingDB Entry DOI: 10.7270/Q2SQ91HJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%