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Compile Data Set for Download or QSAR

Found 4 hits of ki for UniProtKB: P04271   
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
S-100 protein beta chain


(Homo sapiens)
BDBM50429682
PNG
(CHEMBL2335383)
Show SMILES COc1cc2n(C)c(=O)n(C)c2cc1N
Show InChI InChI=1S/C10H13N3O2/c1-12-7-4-6(11)9(15-3)5-8(7)13(2)10(12)14/h4-5H,11H2,1-3H3
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UniChem
Article
PubMed
3.60E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human S100B/human TAMRA-p53(367-388) interaction by fluorescence polarization assay


Bioorg Med Chem 21: 1109-15 (2013)


Article DOI: 10.1016/j.bmc.2012.12.042
BindingDB Entry DOI: 10.7270/Q21C1Z6C
More data for this
Ligand-Target Pair
S-100 protein beta chain


(Homo sapiens)
BDBM50429681
PNG
(CHEMBL2094307 | DNDI1416906)
Show SMILES CCN(CC)c1ccc(N)c(C)c1
Show InChI InChI=1S/C11H18N2/c1-4-13(5-2)10-6-7-11(12)9(3)8-10/h6-8H,4-5,12H2,1-3H3
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Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human S100B/human TAMRA-p53(367-388) interaction by fluorescence polarization assay


Bioorg Med Chem 21: 1109-15 (2013)


Article DOI: 10.1016/j.bmc.2012.12.042
BindingDB Entry DOI: 10.7270/Q21C1Z6C
More data for this
Ligand-Target Pair
S-100 protein beta chain


(Homo sapiens)
BDBM50429679
PNG
(CHEMBL2335386)
Show SMILES Oc1ccc(cc1)\N=C\C=N\c1ccc(O)cc1
Show InChI InChI=1S/C14H12N2O2/c17-13-5-1-11(2-6-13)15-9-10-16-12-3-7-14(18)8-4-12/h1-10,17-18H/b15-9+,16-10+
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PC cid
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Article
PubMed
1.75E+4n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human S100B/human TAMRA-p53(367-388) interaction by fluorescence polarization assay


Bioorg Med Chem 21: 1109-15 (2013)


Article DOI: 10.1016/j.bmc.2012.12.042
BindingDB Entry DOI: 10.7270/Q21C1Z6C
More data for this
Ligand-Target Pair
S-100 protein beta chain


(Homo sapiens)
BDBM50429680
PNG
(CHEMBL2335384)
Show SMILES Nc1cc(ccc1N1CCCCC1)N1CCCCC1
Show InChI InChI=1S/C16H25N3/c17-15-13-14(18-9-3-1-4-10-18)7-8-16(15)19-11-5-2-6-12-19/h7-8,13H,1-6,9-12,17H2
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Similars

Article
PubMed
2.51E+4n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human S100B/human TAMRA-p53(367-388) interaction by fluorescence polarization assay


Bioorg Med Chem 21: 1109-15 (2013)


Article DOI: 10.1016/j.bmc.2012.12.042
BindingDB Entry DOI: 10.7270/Q21C1Z6C
More data for this
Ligand-Target Pair