Compile Data Set for Download or QSAR

Found 7 hits of kd for UniProtKB: P04271   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
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 InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 InChI=1S/C8H9Cl2N5/c9-4-2-1-3-5(6(4)10)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)	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
					More data for this Ligand-Target Pair
Protein S100-B (Homo sapiens (Human))	BDBM50154222 (1-[amino(iminiumyl)methyl]-3-(2-benzoyl-4-chloroph...) Show SMILES NC(=N)N=C(N)Nc1ccc(Cl)cc1C(=O)c1ccccc1 |w:3.2| Show InChI InChI=1S/C15H14ClN5O/c16-10-6-7-12(20-15(19)21-14(17)18)11(8-10)13(22)9-4-2-1-3-5-9/h1-8H,(H6,17,18,19,20,21)	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
					More data for this Ligand-Target Pair
Protein S100-B (Homo sapiens (Human))	BDBM50154224 (CHEMBL434915 | N-[4-(1,5-Dimethyl-3-oxo-2-phenyl-2...) Show SMILES Cc1c(NS(=O)(=O)c2ccc(NC(=O)CCC(O)=O)cc2)c(=O)n(-c2ccccc2)n1C Show InChI InChI=1S/C21H22N4O6S/c1-14-20(21(29)25(24(14)2)16-6-4-3-5-7-16)23-32(30,31)17-10-8-15(9-11-17)22-18(26)12-13-19(27)28/h3-11,23H,12-13H2,1-2H3,(H,22,26)(H,27,28)	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
					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 CC(C)(C)NC(=O)c1cccc(c1)N1C(=O)c2ccc(cc2C1=O)C(O)=O Show InChI InChI=1S/C20H18N2O5/c1-20(2,3)21-16(23)11-5-4-6-13(9-11)22-17(24)14-8-7-12(19(26)27)10-15(14)18(22)25/h4-10H,1-3H3,(H,21,23)(H,26,27)	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
					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 OC(=O)c1cc(ccc1Cl)N=NCc1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O |w:10.10| Show InChI InChI=1S/C19H12Cl2N2O5/c20-15-4-1-10(7-13(15)18(24)25)17-6-3-12(28-17)9-22-23-11-2-5-16(21)14(8-11)19(26)27/h1-8H,9H2,(H,24,25)(H,26,27)	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
					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 Cc1cc(C)c(N2C(=O)c3ccc(cc3C2=O)C(=O)Nc2cc(cc(c2)C(O)=O)C(O)=O)c(C)c1 Show InChI InChI=1S/C26H20N2O7/c1-12-6-13(2)21(14(3)7-12)28-23(30)19-5-4-15(11-20(19)24(28)31)22(29)27-18-9-16(25(32)33)8-17(10-18)26(34)35/h4-11H,1-3H3,(H,27,29)(H,32,33)(H,34,35)	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
					More data for this Ligand-Target Pair