Compile Data Set for Download or QSAR

Found 198 hits with Last Name = 'channar' and Initial = 'pa'   

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
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50283374 (CHEMBL4169273) Show SMILES CCCCC(=O)NC(=S)Nc1ccc(OC)cc1 Show InChI InChI=1S/C13H18N2O2S/c1-3-4-5-12(16)15-13(18)14-10-6-8-11(17-2)9-7-10/h6-9H,3-5H2,1-2H3,(H2,14,15,16,18)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Non-competitive inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition measured up to 5 ...				Eur J Med Chem 141: 273-281 (2017) Article DOI: 10.1016/j.ejmech.2017.09.059 BindingDB Entry DOI: 10.7270/Q28G8P6X
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Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50237597 (7-hydroxy-3,7'-dicoumaryl ether | 7-hydroxy-3-(2-o...) Show SMILES Oc1ccc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2c1 Show InChI InChI=1S/C18H10O6/c19-12-4-1-11-7-16(18(21)24-14(11)8-12)22-13-5-2-10-3-6-17(20)23-15(10)9-13/h1-9,19H	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
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Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50615527 (CHEMBL5279622) Show SMILES CCCCCCC(NC(=O)c1cc2ccc(O)c(O)c2oc1=O)C(=O)Nc1cc2ccc(O)c(O)c2oc1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50269808 (6,7-dihydroxy-3,7'-dicoumaryl ether | CHEMBL462972) Show SMILES Oc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O Show InChI InChI=1S/C18H10O7/c19-12-5-10-6-16(18(22)25-15(10)8-13(12)20)23-11-3-1-9-2-4-17(21)24-14(9)7-11/h1-8,19-20H	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50241949 (7-hydroxy-6-methoxy-3,7'-dicoumaryl ether | CHEMBL...) Show SMILES COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O Show InChI InChI=1S/C19H12O7/c1-23-16-6-11-7-17(19(22)26-15(11)9-13(16)20)24-12-4-2-10-3-5-18(21)25-14(10)8-12/h2-9,20H,1H3	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars		n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
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Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50615526 (CHEMBL5289616) Show SMILES CC(C)CC(NC(=O)c1cc2ccc(O)c(O)c2oc1=O)C(=O)Nc1cc2ccc(O)c(O)c2oc1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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5'-nucleotidase (Rattus norvegicus (Rat))	BDBM223077 ((E)-N'-(4'-Hydroxy-3-methoxybenzylidene)is...) Show SMILES COc1cc(\C=N\NC(=O)c2ccncc2)ccc1O Show InChI InChI=1S/C14H13N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-9,18H,1H3,(H,17,19)/b16-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	7.4	37
Quaid-I-Azam University					Assay Description The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...				Chem Biol Drug Des 89: 365-370 (2017) Article DOI: 10.1111/cbdd.12861 BindingDB Entry DOI: 10.7270/Q2F47N10
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM223080 ((E)-N'-(1-(3-(4-fluorophenyl)-5-phenyl-4,5-dih...) Show SMILES C\C(=N/NC(=O)c1ccncc1)N1N=C(CC1c1ccccc1)c1ccc(F)cc1 |c:14| Show InChI InChI=1S/C23H20FN5O/c1-16(26-27-23(30)19-11-13-25-14-12-19)29-22(18-5-3-2-4-6-18)15-21(28-29)17-7-9-20(24)10-8-17/h2-14,22H,15H2,1H3,(H,27,30)/b26-16+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	7.4	37
Quaid-I-Azam University					Assay Description The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...				Chem Biol Drug Des 89: 365-370 (2017) Article DOI: 10.1111/cbdd.12861 BindingDB Entry DOI: 10.7270/Q2F47N10
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM223079 ((E)-N'-(Pyridin-3'-ylmethylene)isonicotino...) Show SMILES O=C(N\N=C\c1cccnc1)c1ccncc1 Show InChI InChI=1S/C12H10N4O/c17-12(11-3-6-13-7-4-11)16-15-9-10-2-1-5-14-8-10/h1-9H,(H,16,17)/b15-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	7.4	37
Quaid-I-Azam University					Assay Description The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...				Chem Biol Drug Des 89: 365-370 (2017) Article DOI: 10.1111/cbdd.12861 BindingDB Entry DOI: 10.7270/Q2F47N10
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM223076 ((E)-N'-(3'-Nitrobenzylidene)isonicotinohyd...) Show SMILES [O-][N+](=O)c1cccc(\C=N\NC(=O)c2ccncc2)c1 Show InChI InChI=1S/C13H10N4O3/c18-13(11-4-6-14-7-5-11)16-15-9-10-2-1-3-12(8-10)17(19)20/h1-9H,(H,16,18)/b15-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	7.4	37
Quaid-I-Azam University					Assay Description The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...				Chem Biol Drug Des 89: 365-370 (2017) Article DOI: 10.1111/cbdd.12861 BindingDB Entry DOI: 10.7270/Q2F47N10
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM223072 ((E)-N'-(4'-Bromobenzylidene)isonicotinohyd...) Show SMILES Brc1ccc(\C=N\NC(=O)c2ccncc2)cc1 Show InChI InChI=1S/C13H10BrN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	7.4	37
Quaid-I-Azam University					Assay Description The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...				Chem Biol Drug Des 89: 365-370 (2017) Article DOI: 10.1111/cbdd.12861 BindingDB Entry DOI: 10.7270/Q2F47N10
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 (Homo sapiens (Human))	BDBM50468626 (CHEMBL4280275) Show SMILES Cc1nn(C(=O)c2ccc(C)cc2)c(C)c1Cl Show InChI InChI=1S/C13H13ClN2O/c1-8-4-6-11(7-5-8)13(17)16-10(3)12(14)9(2)15-16/h4-7H,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human NPP3 expressed in COS7 cells using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 5 to 10 mins followed b...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50615522 (CHEMBL5287026) Show SMILES [H][C@@]1(O[C@H]2[C@H](Oc3cc(Oc4c(O)c5cc(OC)c(O)cc5oc4=O)cc4oc(=O)ccc34)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	231	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM223074 ((E)-N'-(4'-Methoxybenzylidene)isonicotinoh...) Show SMILES COc1ccc(\C=N\NC(=O)c2ccncc2)cc1 Show InChI InChI=1S/C14H13N3O2/c1-19-13-4-2-11(3-5-13)10-16-17-14(18)12-6-8-15-9-7-12/h2-10H,1H3,(H,17,18)/b16-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	7.4	37
Quaid-I-Azam University					Assay Description The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...				Chem Biol Drug Des 89: 365-370 (2017) Article DOI: 10.1111/cbdd.12861 BindingDB Entry DOI: 10.7270/Q2F47N10
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 (Homo sapiens (Human))	BDBM50468622 (CHEMBL4285649) Show SMILES Cc1nn(C(=O)c2ccccc2C)c(C)c1Cl Show InChI InChI=1S/C13H13ClN2O/c1-8-6-4-5-7-11(8)13(17)16-10(3)12(14)9(2)15-16/h4-7H,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human NPP3 expressed in COS7 cells using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 5 to 10 mins followed b...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Bos taurus (Cattle))	BDBM223077 ((E)-N'-(4'-Hydroxy-3-methoxybenzylidene)is...) Show SMILES COc1cc(\C=N\NC(=O)c2ccncc2)ccc1O Show InChI InChI=1S/C14H13N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-9,18H,1H3,(H,17,19)/b16-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	9.8	37
Quaid-I-Azam University					Assay Description The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...				Chem Biol Drug Des 89: 365-370 (2017) Article DOI: 10.1111/cbdd.12861 BindingDB Entry DOI: 10.7270/Q2F47N10
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 (Homo sapiens (Human))	BDBM62527 ((3,5-Dimethyl-pyrazol-1-yl)-pyridin-4-yl-methanone...) Show SMILES Cc1cc(C)n(n1)C(=O)c1ccncc1 Show InChI InChI=1S/C11H11N3O/c1-8-7-9(2)14(13-8)11(15)10-3-5-12-6-4-10/h3-7H,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human NPP3 expressed in COS7 cells using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 5 to 10 mins followed b...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM223080 ((E)-N'-(1-(3-(4-fluorophenyl)-5-phenyl-4,5-dih...) Show SMILES C\C(=N/NC(=O)c1ccncc1)N1N=C(CC1c1ccccc1)c1ccc(F)cc1 |c:14| Show InChI InChI=1S/C23H20FN5O/c1-16(26-27-23(30)19-11-13-25-14-12-19)29-22(18-5-3-2-4-6-18)15-21(28-29)17-7-9-20(24)10-8-17/h2-14,22H,15H2,1H3,(H,27,30)/b26-16+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	7.4	37
Quaid-I-Azam University					Assay Description The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...				Chem Biol Drug Des 89: 365-370 (2017) Article DOI: 10.1111/cbdd.12861 BindingDB Entry DOI: 10.7270/Q2F47N10
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50468634 (CHEMBL4283075) Show SMILES Cc1cc(C)n(n1)C(=O)c1ccc(N)cc1 Show InChI InChI=1S/C12H13N3O/c1-8-7-9(2)15(14-8)12(16)10-3-5-11(13)6-4-10/h3-7H,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human IAP expressed in COS7 cells using CDP-star as substrate preincubated for 5 to 10 mins followed by substrate addition measured aft...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 (Homo sapiens (Human))	BDBM50468630 (CHEMBL4280333) Show SMILES Cc1cc(=O)n([nH]1)C(=O)c1ccc(N)cc1 Show InChI InChI=1S/C11H11N3O2/c1-7-6-10(15)14(13-7)11(16)8-2-4-9(12)5-3-8/h2-6,13H,12H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human NPP3 expressed in COS7 cells using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 5 to 10 mins followed b...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM223073 ((E)-N'-(4'-Fluorobenzylidene)isonicotinohy...) Show SMILES Fc1ccc(\C=N\NC(=O)c2ccncc2)cc1 Show InChI InChI=1S/C13H10FN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	7.4	37
Quaid-I-Azam University					Assay Description The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...				Chem Biol Drug Des 89: 365-370 (2017) Article DOI: 10.1111/cbdd.12861 BindingDB Entry DOI: 10.7270/Q2F47N10
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM223075 ((E)-N'-(2'-hydroxybenzylidene)isonicotinoh...) Show SMILES Oc1ccccc1\C=N\NC(=O)c1ccncc1 Show InChI InChI=1S/C13H11N3O2/c17-12-4-2-1-3-11(12)9-15-16-13(18)10-5-7-14-8-6-10/h1-9,17H,(H,16,18)/b15-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	7.4	37
Quaid-I-Azam University					Assay Description The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...				Chem Biol Drug Des 89: 365-370 (2017) Article DOI: 10.1111/cbdd.12861 BindingDB Entry DOI: 10.7270/Q2F47N10
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 (Homo sapiens (Human))	BDBM50468635 (CHEMBL4283786) Show SMILES Cc1nn(C(=O)c2ccc(N)cc2)c(C)c1Oc1ccc(C)cc1 Show InChI InChI=1S/C19H19N3O2/c1-12-4-10-17(11-5-12)24-18-13(2)21-22(14(18)3)19(23)15-6-8-16(20)9-7-15/h4-11H,20H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human NPP3 expressed in COS7 cells using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 5 to 10 mins followed b...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Bos taurus (Cattle))	BDBM223074 ((E)-N'-(4'-Methoxybenzylidene)isonicotinoh...) Show SMILES COc1ccc(\C=N\NC(=O)c2ccncc2)cc1 Show InChI InChI=1S/C14H13N3O2/c1-19-13-4-2-11(3-5-13)10-16-17-14(18)12-6-8-15-9-7-12/h2-10H,1H3,(H,17,18)/b16-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	9.8	37
Quaid-I-Azam University					Assay Description The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...				Chem Biol Drug Des 89: 365-370 (2017) Article DOI: 10.1111/cbdd.12861 BindingDB Entry DOI: 10.7270/Q2F47N10
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152761 ([(E)-[2-(furan-2-yl)ethylidene]amino]thiourea (3f)) Show SMILES NC(=S)N\N=C\Cc1ccco1 Show InChI InChI=1S/C7H9N3OS/c8-7(12)10-9-4-3-6-2-1-5-11-6/h1-2,4-5H,3H2,(H3,8,10,12)/b9-4+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-I-Azam University					Assay Description Urease inhibition activity was determined by indophenol method. In brief, each 140 µL assay reaction contained 40 µL buffer (100 mM urea, 0.01 mM K2H...				Chem Biol Drug Des 85: 225-30 (2015) Article DOI: 10.1111/cbdd.12379 BindingDB Entry DOI: 10.7270/Q2P55M71
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 (Homo sapiens (Human))	BDBM23722 (4-chloro-1-[(4-chlorophenyl)carbonyl]-3,5-dimethyl...) Show SMILES Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Cl Show InChI InChI=1S/C12H10Cl2N2O/c1-7-11(14)8(2)16(15-7)12(17)9-3-5-10(13)6-4-9/h3-6H,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human NPP3 expressed in COS7 cells using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 5 to 10 mins followed b...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM223071 ((E)-N'-(4'-Chlorobenzylidene)isonicotinohy...) Show SMILES Clc1ccc(\C=N\NC(=O)c2ccncc2)cc1 Show InChI InChI=1S/C13H10ClN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	9.8	37
Quaid-I-Azam University					Assay Description The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...				Chem Biol Drug Des 89: 365-370 (2017) Article DOI: 10.1111/cbdd.12861 BindingDB Entry DOI: 10.7270/Q2F47N10
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM223077 ((E)-N'-(4'-Hydroxy-3-methoxybenzylidene)is...) Show SMILES COc1cc(\C=N\NC(=O)c2ccncc2)ccc1O Show InChI InChI=1S/C14H13N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-9,18H,1H3,(H,17,19)/b16-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	7.4	37
Quaid-I-Azam University					Assay Description The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...				Chem Biol Drug Des 89: 365-370 (2017) Article DOI: 10.1111/cbdd.12861 BindingDB Entry DOI: 10.7270/Q2F47N10
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50615521 (CHEMBL5266421) Show SMILES OCC1O[C@@H](Oc2ccc3ccc(=O)oc3c2-c2c(O)ccc3ccc(=O)oc23)C(O)C(O)[C@@H]1O |r,wU:4.4,wD:33.38,(-5.33,5,;-4,4.23,;-4,2.69,;-2.67,1.92,;-2.67,.38,;-1.33,-.39,;0,.38,;0,1.93,;1.34,2.69,;2.66,1.92,;4,2.69,;5.33,1.92,;5.33,.38,;6.67,-.39,;4,-.39,;2.66,.38,;1.34,-.38,;1.34,-1.92,;0,-2.69,;-1.33,-1.92,;-0,-4.23,;1.33,-5,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;6.67,-1.92,;4,-1.92,;2.67,-2.69,;-4,-.39,;-4,-1.93,;-5.33,.38,;-6.67,-.39,;-5.33,1.92,;-6.67,2.69,)| Show InChI	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50468623 (CHEMBL4290501) Show SMILES Cc1cc(C)n(n1)C(=O)c1ccccc1C Show InChI InChI=1S/C13H14N2O/c1-9-6-4-5-7-12(9)13(16)15-11(3)8-10(2)14-15/h4-8H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human IAP expressed in COS7 cells using CDP-star as substrate preincubated for 5 to 10 mins followed by substrate addition measured aft...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM23722 (4-chloro-1-[(4-chlorophenyl)carbonyl]-3,5-dimethyl...) Show SMILES Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Cl Show InChI InChI=1S/C12H10Cl2N2O/c1-7-11(14)8(2)16(15-7)12(17)9-3-5-10(13)6-4-9/h3-6H,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human TNAP expressed in COS7 cells using CDP-star as substrate preincubated for 5 to 10 mins followed by substrate addition measured af...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50468632 (CHEMBL4293491) Show SMILES CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)n1nc(C)c(Cl)c1C |r| Show InChI InChI=1S/C18H23ClN2O/c1-11(2)10-15-6-8-16(9-7-15)12(3)18(22)21-14(5)17(19)13(4)20-21/h6-9,11-12H,10H2,1-5H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human IAP expressed in COS7 cells using CDP-star as substrate preincubated for 5 to 10 mins followed by substrate addition measured aft...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50468622 (CHEMBL4285649) Show SMILES Cc1nn(C(=O)c2ccccc2C)c(C)c1Cl Show InChI InChI=1S/C13H13ClN2O/c1-8-6-4-5-7-11(8)13(17)16-10(3)12(14)9(2)15-16/h4-7H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Bos taurus (Cattle))	BDBM223080 ((E)-N'-(1-(3-(4-fluorophenyl)-5-phenyl-4,5-dih...) Show SMILES C\C(=N/NC(=O)c1ccncc1)N1N=C(CC1c1ccccc1)c1ccc(F)cc1 |c:14| Show InChI InChI=1S/C23H20FN5O/c1-16(26-27-23(30)19-11-13-25-14-12-19)29-22(18-5-3-2-4-6-18)15-21(28-29)17-7-9-20(24)10-8-17/h2-14,22H,15H2,1H3,(H,27,30)/b26-16+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	9.8	37
Quaid-I-Azam University					Assay Description The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...				Chem Biol Drug Des 89: 365-370 (2017) Article DOI: 10.1111/cbdd.12861 BindingDB Entry DOI: 10.7270/Q2F47N10
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM50468632 (CHEMBL4293491) Show SMILES CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)n1nc(C)c(Cl)c1C |r| Show InChI InChI=1S/C18H23ClN2O/c1-11(2)10-15-6-8-16(9-7-15)12(3)18(22)21-14(5)17(19)13(4)20-21/h6-9,11-12H,10H2,1-5H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human TNAP expressed in COS7 cells using CDP-star as substrate preincubated for 5 to 10 mins followed by substrate addition measured af...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM223071 ((E)-N'-(4'-Chlorobenzylidene)isonicotinohy...) Show SMILES Clc1ccc(\C=N\NC(=O)c2ccncc2)cc1 Show InChI InChI=1S/C13H10ClN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	7.4	37
Quaid-I-Azam University					Assay Description The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...				Chem Biol Drug Des 89: 365-370 (2017) Article DOI: 10.1111/cbdd.12861 BindingDB Entry DOI: 10.7270/Q2F47N10
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50468632 (CHEMBL4293491) Show SMILES CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)n1nc(C)c(Cl)c1C |r| Show InChI InChI=1S/C18H23ClN2O/c1-11(2)10-15-6-8-16(9-7-15)12(3)18(22)21-14(5)17(19)13(4)20-21/h6-9,11-12H,10H2,1-5H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 (Homo sapiens (Human))	BDBM50468627 (CHEMBL390695) Show SMILES Cc1cc(C)n(n1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C12H11ClN2O/c1-8-7-9(2)15(14-8)12(16)10-3-5-11(13)6-4-10/h3-7H,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human NPP3 expressed in COS7 cells using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 5 to 10 mins followed b...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 (Homo sapiens (Human))	BDBM50468625 (CHEMBL4287085) Show SMILES Cc1nn(C(=O)c2ccc(N)cc2)c(C)c1Cl Show InChI InChI=1S/C12H12ClN3O/c1-7-11(13)8(2)16(15-7)12(17)9-3-5-10(14)6-4-9/h3-6H,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human NPP3 expressed in COS7 cells using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 5 to 10 mins followed b...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 (Homo sapiens (Human))	BDBM50468629 (CHEMBL4279910) Show SMILES Cc1cc(=O)n([nH]1)C(=O)c1ccc(C)cc1 Show InChI InChI=1S/C12H12N2O2/c1-8-3-5-10(6-4-8)12(16)14-11(15)7-9(2)13-14/h3-7,13H,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human NPP3 expressed in COS7 cells using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 5 to 10 mins followed b...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 (Homo sapiens (Human))	BDBM50468631 (CHEMBL4291645) Show SMILES Cc1n[nH]c(C)c1Oc1ccc2ccccc2c1 Show InChI InChI=1S/C15H14N2O/c1-10-15(11(2)17-16-10)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human NPP3 expressed in COS7 cells using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 5 to 10 mins followed b...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 (Homo sapiens (Human))	BDBM50179360 (CHEMBL3040216) Show SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11| Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40-	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human NPP3 expressed in COS7 cells using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 5 to 10 mins followed b...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM223075 ((E)-N'-(2'-hydroxybenzylidene)isonicotinoh...) Show SMILES Oc1ccccc1\C=N\NC(=O)c1ccncc1 Show InChI InChI=1S/C13H11N3O2/c17-12-4-2-1-3-11(12)9-15-16-13(18)10-5-7-14-8-6-10/h1-9,17H,(H,16,18)/b15-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	7.4	37
Quaid-I-Azam University					Assay Description The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...				Chem Biol Drug Des 89: 365-370 (2017) Article DOI: 10.1111/cbdd.12861 BindingDB Entry DOI: 10.7270/Q2F47N10
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM223075 ((E)-N'-(2'-hydroxybenzylidene)isonicotinoh...) Show SMILES Oc1ccccc1\C=N\NC(=O)c1ccncc1 Show InChI InChI=1S/C13H11N3O2/c17-12-4-2-1-3-11(12)9-15-16-13(18)10-5-7-14-8-6-10/h1-9,17H,(H,16,18)/b15-9+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.44E+3	n/a	n/a	n/a	n/a	9.8	37
Quaid-I-Azam University					Assay Description The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...				Chem Biol Drug Des 89: 365-370 (2017) Article DOI: 10.1111/cbdd.12861 BindingDB Entry DOI: 10.7270/Q2F47N10
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM223079 ((E)-N'-(Pyridin-3'-ylmethylene)isonicotino...) Show SMILES O=C(N\N=C\c1cccnc1)c1ccncc1 Show InChI InChI=1S/C12H10N4O/c17-12(11-3-6-13-7-4-11)16-15-9-10-2-1-5-14-8-10/h1-9H,(H,16,17)/b15-9+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	9.8	37
Quaid-I-Azam University					Assay Description The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was a...				Chem Biol Drug Des 89: 365-370 (2017) Article DOI: 10.1111/cbdd.12861 BindingDB Entry DOI: 10.7270/Q2F47N10
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM50468629 (CHEMBL4279910) Show SMILES Cc1cc(=O)n([nH]1)C(=O)c1ccc(C)cc1 Show InChI InChI=1S/C12H12N2O2/c1-8-3-5-10(6-4-8)12(16)14-11(15)7-9(2)13-14/h3-7,13H,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human TNAP expressed in COS7 cells using CDP-star as substrate preincubated for 5 to 10 mins followed by substrate addition measured af...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 (Homo sapiens (Human))	BDBM50468637 (CHEMBL4295005) Show SMILES Cc1nn(C(=O)c2cccc(C)c2)c(C)c1Cl Show InChI InChI=1S/C13H13ClN2O/c1-8-5-4-6-11(7-8)13(17)16-10(3)12(14)9(2)15-16/h4-7H,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human NPP3 expressed in COS7 cells using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 5 to 10 mins followed b...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM62527 ((3,5-Dimethyl-pyrazol-1-yl)-pyridin-4-yl-methanone...) Show SMILES Cc1cc(C)n(n1)C(=O)c1ccncc1 Show InChI InChI=1S/C11H11N3O/c1-8-7-9(2)14(13-8)11(15)10-3-5-12-6-4-10/h3-7H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of human IAP expressed in COS7 cells using CDP-star as substrate preincubated for 5 to 10 mins followed by substrate addition measured aft...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50283374 (CHEMBL4169273) Show SMILES CCCCC(=O)NC(=S)Nc1ccc(OC)cc1 Show InChI InChI=1S/C13H18N2O2S/c1-3-4-5-12(16)15-13(18)14-10-6-8-11(17-2)9-7-10/h6-9H,3-5H2,1-2H3,(H2,14,15,16,18)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition measured for 20 mins				Eur J Med Chem 141: 273-281 (2017) Article DOI: 10.1016/j.ejmech.2017.09.059 BindingDB Entry DOI: 10.7270/Q28G8P6X
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5'-nucleotidase (Homo sapiens (Human))	BDBM223071 ((E)-N'-(4'-Chlorobenzylidene)isonicotinohy...) Show SMILES Clc1ccc(\C=N\NC(=O)c2ccncc2)cc1 Show InChI InChI=1S/C13H10ClN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.67E+3	n/a	n/a	n/a	n/a	7.4	37
Quaid-I-Azam University					Assay Description The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...				Chem Biol Drug Des 89: 365-370 (2017) Article DOI: 10.1111/cbdd.12861 BindingDB Entry DOI: 10.7270/Q2F47N10
					More data for this Ligand-Target Pair

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