BindingDB PrimarySearch

Found 19 hits Enz. Inhib. hit(s) with Target = 'Protein S100-B' AND taxid = 9606
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Protein S100-B (Homo sapiens (Human))	BDBM50429682 (CHEMBL2335383) Show SMILES COc1cc2n(C)c(=O)n(C)c2cc1N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Protein S100-B (Homo sapiens (Human))	BDBM50429681 (CHEMBL2094307 \| DNDI1416906) Show SMILES CCN(CC)c1ccc(N)c(C)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Protein S100-B (Homo sapiens (Human))	BDBM50429679 (CHEMBL2335386) Show SMILES Oc1ccc(cc1)\N=C\C=N\c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Protein S100-B (Homo sapiens (Human))	BDBM50429680 (CHEMBL2335384) Show SMILES Nc1cc(ccc1N1CCCCC1)N1CCCCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Protein S100-B (Homo sapiens (Human))	BDBM34166 ((2,4-dipiperidinophenyl)amine \| 2,4-Di-piperidin-1...) Show SMILES Nc1ccc(cc1N1CCCCC1)N1CCCCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/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
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Protein S100-B (Homo sapiens (Human))	BDBM50429682 (CHEMBL2335383) Show SMILES COc1cc2n(C)c(=O)n(C)c2cc1N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/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
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Protein S100-B (Homo sapiens (Human))	BDBM50429681 (CHEMBL2094307 \| DNDI1416906) Show SMILES CCN(CC)c1ccc(N)c(C)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/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
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Protein S100-B (Homo sapiens (Human))	BDBM50429679 (CHEMBL2335386) Show SMILES Oc1ccc(cc1)\N=C\C=N\c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.28E+4	n/a	n/a	n/a	n/a	n/a	n/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
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Protein S100-B (Homo sapiens (Human))	BDBM50429680 (CHEMBL2335384) Show SMILES Nc1cc(ccc1N1CCCCC1)N1CCCCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.15E+4	n/a	n/a	n/a	n/a	n/a	n/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
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Protein S100-B (Homo sapiens (Human))	BDBM50429684 (4-(4-Methoxybenzylideneamino)Phenol \| CHEMBL67238) Show SMILES COc1ccc(\C=N\c2ccc(O)cc2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.63E+4	n/a	n/a	n/a	n/a	n/a	n/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
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Protein S100-B (Homo sapiens (Human))	BDBM50429683 (4-((4-(Phenylamino)Phenylimino)Methyl)Phenol \| CHE...) Show SMILES Oc1ccc(\C=N\c2ccc(Nc3ccccc3)cc2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.21E+4	n/a	n/a	n/a	n/a	n/a	n/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
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Protein S100-B (Homo sapiens (Human))	BDBM45440 (4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...) Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/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
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein S100-B (Homo sapiens (Human))	BDBM50154224 (CHEMBL434915 \| N-[4-(1,5-Dimethyl-3-oxo-2-phenyl-2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding to holo-S100B protein				J Med Chem 47: 5085-93 (2004) Article DOI: 10.1021/jm0497038 BindingDB Entry DOI: 10.7270/Q2028R1W
University of Maryland Curated by ChEMBL					More data for this Ligand-Target Pair
Protein S100-B (Homo sapiens (Human))	BDBM50154226 (5-{[1,3-Dioxo-2-(2,4,6-trimethyl-phenyl)-2,3-dihyd...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding to holo-S100B protein				J Med Chem 47: 5085-93 (2004) Article DOI: 10.1021/jm0497038 BindingDB Entry DOI: 10.7270/Q2028R1W
University of Maryland Curated by ChEMBL					More data for this Ligand-Target Pair
Protein S100-B (Homo sapiens (Human))	BDBM50154223 (CHEMBL185802 \| N-(2,3-dichlorophenyl)imidodicarbon...) Show SMILES NC(=N)N=C(N)Nc1cccc(Cl)c1Cl \|w:3.2\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding to holo-S100B protein				J Med Chem 47: 5085-93 (2004) Article DOI: 10.1021/jm0497038 BindingDB Entry DOI: 10.7270/Q2028R1W
University of Maryland Curated by ChEMBL					More data for this Ligand-Target Pair
Protein S100-B (Homo sapiens (Human))	BDBM50154221 (5-((2E)-2-{[5-(3-carboxy-4-chlorophenyl)-2-furyl]m...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.83E+4	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding to holo-S100B protein				J Med Chem 47: 5085-93 (2004) Article DOI: 10.1021/jm0497038 BindingDB Entry DOI: 10.7270/Q2028R1W
University of Maryland Curated by ChEMBL					More data for this Ligand-Target Pair
Protein S100-B (Homo sapiens (Human))	BDBM50154225 (2-(3-tert-Butylcarbamoyl-phenyl)-1,3-dioxo-2,3-dih...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding to holo-S100B protein				J Med Chem 47: 5085-93 (2004) Article DOI: 10.1021/jm0497038 BindingDB Entry DOI: 10.7270/Q2028R1W
University of Maryland Curated by ChEMBL					More data for this Ligand-Target Pair
Protein S100-B (Homo sapiens (Human))	BDBM45440 (4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...) Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding to holo-S100B protein				J Med Chem 47: 5085-93 (2004) Article DOI: 10.1021/jm0497038 BindingDB Entry DOI: 10.7270/Q2028R1W
University of Maryland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein S100-B (Homo sapiens (Human))	BDBM50154222 (1-[amino(iminiumyl)methyl]-3-(2-benzoyl-4-chloroph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding to holo-S100B protein				J Med Chem 47: 5085-93 (2004) Article DOI: 10.1021/jm0497038 BindingDB Entry DOI: 10.7270/Q2028R1W
University of Maryland Curated by ChEMBL					More data for this Ligand-Target Pair