Compile Data Set for Download or QSAR

Found 26 hits with Last Name = 'fatima' and Initial = 'n'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50304608 (5,5'-(propane-1,3-diyl)bis(1,3,4-oxadiazole-2(3H)-...) Show SMILES Sc1nnc(CCCc2nnc(S)o2)o1 Show InChI InChI=1S/C7H8N4O2S2/c14-6-10-8-4(12-6)2-1-3-5-9-11-7(15)13-5/h1-3H2,(H,10,14)(H,11,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Noncompetitive inhibition of human recombinant NPP1 by Dixon plot analysis				Bioorg Med Chem 17: 7816-22 (2009) Article DOI: 10.1016/j.bmc.2009.09.011 BindingDB Entry DOI: 10.7270/Q2ZC82X2
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50304609 (5-[4-t-Butyldimethylsilyloxy phenyl]-1,3,4-oxadiaz...) Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c1nnc(S)o1 Show InChI InChI=1S/C14H20N2O2SSi/c1-14(2,3)20(4,5)18-11-8-6-10(7-9-11)12-15-16-13(19)17-12/h6-9H,1-5H3,(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Noncompetitive inhibition of human recombinant NPP1 by Dixon plot analysis				Bioorg Med Chem 17: 7816-22 (2009) Article DOI: 10.1016/j.bmc.2009.09.011 BindingDB Entry DOI: 10.7270/Q2ZC82X2
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50304607 (5-(3-(benzyloxy)phenyl)-1,3,4-oxadiazole-2(3H)-thi...) Show SMILES Sc1nnc(o1)-c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C15H12N2O2S/c20-15-17-16-14(19-15)12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Noncompetitive inhibition of human recombinant NPP1 by Dixon plot analysis				Bioorg Med Chem 17: 7816-22 (2009) Article DOI: 10.1016/j.bmc.2009.09.011 BindingDB Entry DOI: 10.7270/Q2ZC82X2
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50304605 (5-(4-hydroxyphenyl)-1,3,4-thiadiazole-2(3H)-thione...) Show SMILES Oc1ccc(cc1)-c1nnc(S)s1 Show InChI InChI=1S/C8H6N2OS2/c11-6-3-1-5(2-4-6)7-9-10-8(12)13-7/h1-4,11H,(H,10,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Noncompetitive inhibition of human recombinant NPP1 by Dixon plot analysis				Bioorg Med Chem 17: 7816-22 (2009) Article DOI: 10.1016/j.bmc.2009.09.011 BindingDB Entry DOI: 10.7270/Q2ZC82X2
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50304606 (5-(4-(benzyloxy)phenyl)-1,3,4-oxadiazole-2(3H)-thi...) Show SMILES Sc1nnc(o1)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C15H12N2O2S/c20-15-17-16-14(19-15)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Noncompetitive inhibition of human recombinant NPP1 by Dixon plot analysis				Bioorg Med Chem 17: 7816-22 (2009) Article DOI: 10.1016/j.bmc.2009.09.011 BindingDB Entry DOI: 10.7270/Q2ZC82X2
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM24529 ((2Z,5E)-2-(1,2-benzothiazol-3-ylimino)-5-[(4-metho...) Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nsc3ccccc23)cc1 Show InChI InChI=1S/C18H13N3O2S2/c1-23-12-8-6-11(7-9-12)10-15-17(22)20-18(24-15)19-16-13-4-2-3-5-14(13)25-21-16/h2-10H,1H3,(H,19,20,21,22)/b15-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of MMP13 (unknown origin)				Eur J Med Chem 72: 52-77 (2014) Article DOI: 10.1016/j.ejmech.2013.11.017 BindingDB Entry DOI: 10.7270/Q26M39SV
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50259880 (3alpha-acetoxy-27-hydroxylup-20(29)-en-24-oic acid...) Show SMILES CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(CO)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]12 |r| Show InChI InChI=1S/C32H50O5/c1-19(2)21-10-13-28(4)16-17-32(18-33)22(26(21)28)8-9-23-29(5)14-12-25(37-20(3)34)31(7,27(35)36)24(29)11-15-30(23,32)6/h21-26,33H,1,8-18H2,2-7H3,(H,35,36)/t21-,22+,23+,24+,25+,26+,28+,29+,30+,31+,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of prolyl endopeptidase				J Nat Prod 68: 189-93 (2005) Article DOI: 10.1021/np040142x BindingDB Entry DOI: 10.7270/Q22V2H18
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM35440 (ALLOPURINOL | MLS000069453 | SMR000059083 | cid_20...) Show SMILES O=c1[nH]cnc2n[nH]cc12 Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase				J Nat Prod 68: 189-93 (2005) Article DOI: 10.1021/np040142x BindingDB Entry DOI: 10.7270/Q22V2H18
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50241262 ((3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-a...) Show SMILES C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C |r,c:10| Show InChI InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23-,24-,25+,26-,28-,29+,30-,31-,32-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of prolyl endopeptidase				J Nat Prod 68: 189-93 (2005) Article DOI: 10.1021/np040142x BindingDB Entry DOI: 10.7270/Q22V2H18
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50241260 ((3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-h...) Show SMILES C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C |r,c:10| Show InChI InChI=1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24+,26-,27-,28-,29-,30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of prolyl endopeptidase				J Nat Prod 68: 189-93 (2005) Article DOI: 10.1021/np040142x BindingDB Entry DOI: 10.7270/Q22V2H18
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50241261 ((3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-h...) Show SMILES C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C |r,c:10| Show InChI InChI=1S/C30H46O4/c1-17-8-11-26(3)14-15-28(5)19(23(26)18(17)2)16-20(31)24-27(4)12-10-22(32)30(7,25(33)34)21(27)9-13-29(24,28)6/h16-18,21-24,32H,8-15H2,1-7H3,(H,33,34)/t17-,18+,21-,22-,23+,24-,26-,27+,28-,29-,30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of prolyl endopeptidase				J Nat Prod 68: 189-93 (2005) Article DOI: 10.1021/np040142x BindingDB Entry DOI: 10.7270/Q22V2H18
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50303448 (Beta-elemonic acid | CHEMBL566929) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6@@H](-[#6@H]1-[#6]-[#6][C@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[#6@H]1-[#6]-[#6]-3)-[#6](-[#8])=O |r,c:12| Show InChI InChI=1S/C30H46O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24H,8,10-18H2,1-7H3,(H,32,33)/t20-,21+,24+,28+,29-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of prolyl endopeptidase				J Nat Prod 68: 189-93 (2005) Article DOI: 10.1021/np040142x BindingDB Entry DOI: 10.7270/Q22V2H18
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50259883 (CHEMBL449310 | methyl 3alpha-acetoxy-27-hydroxylup...) Show SMILES COC(=O)[C@@]1(C)[C@@H](CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@@H](CC[C@]5(C)CC[C@@]4(CO)[C@]3(C)CC[C@@H]12)C(C)=C)OC(C)=O |r| Show InChI InChI=1S/C33H52O5/c1-20(2)22-11-14-29(4)17-18-33(19-34)23(27(22)29)9-10-24-30(5)15-13-26(38-21(3)35)32(7,28(36)37-8)25(30)12-16-31(24,33)6/h22-27,34H,1,9-19H2,2-8H3/t22-,23+,24+,25+,26+,27+,29+,30+,31+,32+,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of prolyl endopeptidase				J Nat Prod 68: 189-93 (2005) Article DOI: 10.1021/np040142x BindingDB Entry DOI: 10.7270/Q22V2H18
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50241263 ((3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-met...) Show SMILES COC(=O)[C@@]1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@@]12C |r,t:22| Show InChI InChI=1S/C31H48O4/c1-18-9-12-27(3)15-16-29(5)20(24(27)19(18)2)17-21(32)25-28(4)13-11-23(33)31(7,26(34)35-8)22(28)10-14-30(25,29)6/h17-19,22-25,33H,9-16H2,1-8H3/t18-,19+,22-,23-,24+,25-,27-,28+,29-,30-,31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of prolyl endopeptidase				J Nat Prod 68: 189-93 (2005) Article DOI: 10.1021/np040142x BindingDB Entry DOI: 10.7270/Q22V2H18
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50259882 (CHEMBL477753 | trans-4',5-dihydroxy-3-methoxystilb...) Show SMILES COc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(\C=C\c2ccc(O)cc2)c1 |r| Show InChI InChI=1S/C27H34O12/c1-13-20(29)22(31)24(33)26(37-13)36-12-19-21(30)23(32)25(34)27(39-19)38-18-10-15(9-17(11-18)35-2)4-3-14-5-7-16(28)8-6-14/h3-11,13,19-34H,12H2,1-2H3/b4-3+/t13-,19+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase				J Nat Prod 68: 189-93 (2005) Article DOI: 10.1021/np040142x BindingDB Entry DOI: 10.7270/Q22V2H18
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50259881 (CHEMBL501898 | trans-4',5-dihydroxy-3-methoxystilb...) Show SMILES COc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc(\C=C\c2ccc(O)cc2)c1 |r| Show InChI InChI=1S/C33H44O16/c1-14-22(35)25(38)28(41)31(45-14)44-13-21-24(37)27(40)30(49-32-29(42)26(39)23(36)15(2)46-32)33(48-21)47-20-11-17(10-19(12-20)43-3)5-4-16-6-8-18(34)9-7-16/h4-12,14-15,21-42H,13H2,1-3H3/b5-4+/t14-,15-,21+,22-,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase				J Nat Prod 68: 189-93 (2005) Article DOI: 10.1021/np040142x BindingDB Entry DOI: 10.7270/Q22V2H18
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50304609 (5-[4-t-Butyldimethylsilyloxy phenyl]-1,3,4-oxadiaz...) Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c1nnc(S)o1 Show InChI InChI=1S/C14H20N2O2SSi/c1-14(2,3)20(4,5)18-11-8-6-10(7-9-11)12-15-16-13(19)17-12/h6-9H,1-5H3,(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.68E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human recombinant NPP1 assessed as release of p-nitrophenol by microtitre plate spectrophotometry				Bioorg Med Chem 17: 7816-22 (2009) Article DOI: 10.1016/j.bmc.2009.09.011 BindingDB Entry DOI: 10.7270/Q2ZC82X2
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50304608 (5,5'-(propane-1,3-diyl)bis(1,3,4-oxadiazole-2(3H)-...) Show SMILES Sc1nnc(CCCc2nnc(S)o2)o1 Show InChI InChI=1S/C7H8N4O2S2/c14-6-10-8-4(12-6)2-1-3-5-9-11-7(15)13-5/h1-3H2,(H,10,14)(H,11,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human recombinant NPP1 assessed as release of p-nitrophenol by microtitre plate spectrophotometry				Bioorg Med Chem 17: 7816-22 (2009) Article DOI: 10.1016/j.bmc.2009.09.011 BindingDB Entry DOI: 10.7270/Q2ZC82X2
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50304607 (5-(3-(benzyloxy)phenyl)-1,3,4-oxadiazole-2(3H)-thi...) Show SMILES Sc1nnc(o1)-c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C15H12N2O2S/c20-15-17-16-14(19-15)12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.94E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human recombinant NPP1 assessed as release of p-nitrophenol by microtitre plate spectrophotometry				Bioorg Med Chem 17: 7816-22 (2009) Article DOI: 10.1016/j.bmc.2009.09.011 BindingDB Entry DOI: 10.7270/Q2ZC82X2
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50377940 (2-TERT-BUTYL-4-HYDROXYANISOLE | BHA | Butylated hy...) Show SMILES COc1ccc(O)cc1C(C)(C)C Show InChI InChI=1S/C11H16O2/c1-11(2,3)9-7-8(12)5-6-10(9)13-4/h5-7,12H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.91E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase				J Nat Prod 68: 189-93 (2005) Article DOI: 10.1021/np040142x BindingDB Entry DOI: 10.7270/Q22V2H18
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50304606 (5-(4-(benzyloxy)phenyl)-1,3,4-oxadiazole-2(3H)-thi...) Show SMILES Sc1nnc(o1)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C15H12N2O2S/c20-15-17-16-14(19-15)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.28E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human recombinant NPP1 assessed as release of p-nitrophenol by microtitre plate spectrophotometry				Bioorg Med Chem 17: 7816-22 (2009) Article DOI: 10.1016/j.bmc.2009.09.011 BindingDB Entry DOI: 10.7270/Q2ZC82X2
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50032154 (3,4,5-Trihydroxy-benzoic acid propyl ester | CHEMB...) Show SMILES CCCOC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.28E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase				J Nat Prod 68: 189-93 (2005) Article DOI: 10.1021/np040142x BindingDB Entry DOI: 10.7270/Q22V2H18
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50304605 (5-(4-hydroxyphenyl)-1,3,4-thiadiazole-2(3H)-thione...) Show SMILES Oc1ccc(cc1)-c1nnc(S)s1 Show InChI InChI=1S/C8H6N2OS2/c11-6-3-1-5(2-4-6)7-9-10-8(12)13-7/h1-4,11H,(H,10,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human recombinant NPP1 assessed as release of p-nitrophenol by microtitre plate spectrophotometry				Bioorg Med Chem 17: 7816-22 (2009) Article DOI: 10.1016/j.bmc.2009.09.011 BindingDB Entry DOI: 10.7270/Q2ZC82X2
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50304604 (5-(pyridin-4-yl)-1,3,4-thiadiazole-2(3H)-thione | ...) Show SMILES Sc1nnc(s1)-c1ccncc1 Show InChI InChI=1S/C7H5N3S2/c11-7-10-9-6(12-7)5-1-3-8-4-2-5/h1-4H,(H,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.98E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human recombinant NPP1 assessed as release of p-nitrophenol by microtitre plate spectrophotometry				Bioorg Med Chem 17: 7816-22 (2009) Article DOI: 10.1016/j.bmc.2009.09.011 BindingDB Entry DOI: 10.7270/Q2ZC82X2
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50304603 (5,5'-methylenebis(1,3,4-oxadiazole-2(3H)-thione) |...) Show SMILES Sc1nnc(Cc2nnc(S)o2)o1 Show InChI InChI=1S/C5H4N4O2S2/c12-4-8-6-2(10-4)1-3-7-9-5(13)11-3/h1H2,(H,8,12)(H,9,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human recombinant NPP1 assessed as release of p-nitrophenol by microtitre plate spectrophotometry				Bioorg Med Chem 17: 7816-22 (2009) Article DOI: 10.1016/j.bmc.2009.09.011 BindingDB Entry DOI: 10.7270/Q2ZC82X2
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50304602 (5-(4-(tert-butyldimethylsilyloxy)phenyl)-1,3,4-thi...) Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c1nnc(S)s1 Show InChI InChI=1S/C14H20N2OS2Si/c1-14(2,3)20(4,5)17-11-8-6-10(7-9-11)12-15-16-13(18)19-12/h6-9H,1-5H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human recombinant NPP1 assessed as release of p-nitrophenol by microtitre plate spectrophotometry				Bioorg Med Chem 17: 7816-22 (2009) Article DOI: 10.1016/j.bmc.2009.09.011 BindingDB Entry DOI: 10.7270/Q2ZC82X2
					More data for this Ligand-Target Pair