Compile Data Set for Download or QSAR

Found 177 hits with Last Name = 'tahir' and Initial = 'mn'   

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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	8.0	25
University of Karachi					Assay Description A 96-microliter well plate was used for screening purpose. Each pyridopyrazine derivative was first dissolved in dimethyl sulfoxide to prepare the st...				Chem Biol Drug Des 86: 1115-20 (2015) Article DOI: 10.1111/cbdd.12579 BindingDB Entry DOI: 10.7270/Q2445K79
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152597 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(3-nitrophenyl...) Show SMILES CC(=NNC(=S)Nc1cccc(c1)[N+]([O-])=O)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H14N4O3S/c1-11(16-9-12-5-2-3-8-15(12)24-16)19-20-17(25)18-13-6-4-7-14(10-13)21(22)23/h2-10H,1H3,(H2,18,20,25)/b19-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152587 (2-(1-(Benzofuran-2-yl)ethylidene)-N-phenylhydrazin...) Show SMILES CC(=NNC(=S)Nc1ccccc1)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H15N3OS/c1-12(16-11-13-7-5-6-10-15(13)21-16)19-20-17(22)18-14-8-3-2-4-9-14/h2-11H,1H3,(H2,18,20,22)/b19-12+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152600 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(3-methoxyphen...) Show SMILES COc1cccc(NC(=S)NN=C(C)c2cc3ccccc3o2)c1 |w:11.10| Show InChI InChI=1S/C18H17N3O2S/c1-12(17-10-13-6-3-4-9-16(13)23-17)20-21-18(24)19-14-7-5-8-15(11-14)22-2/h3-11H,1-2H3,(H2,19,21,24)/b20-12+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Gujrat Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 m...				Bioorg Med Chem 26: 3696-3706 (2018) Article DOI: 10.1016/j.bmc.2018.05.050 BindingDB Entry DOI: 10.7270/Q2V69N32
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50561931 (CHEMBL4746318) Show SMILES CN1C(=O)C2(c3c[nH]nc3NC(N)=C2C#N)c2cc(OC(F)(F)F)ccc12 |c:13| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152591 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(4-fluoropheny...) Show SMILES CC(=NNC(=S)Nc1ccc(F)cc1)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H14FN3OS/c1-11(16-10-12-4-2-3-5-15(12)22-16)20-21-17(23)19-14-8-6-13(18)7-9-14/h2-10H,1H3,(H2,19,21,23)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	177	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50561933 (CHEMBL4788305) Show SMILES CN1C(=O)C2(c3cc(OC(F)(F)F)ccc13)c1c(C)[nH]nc1NC(N)=C2C#N |c:27| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152598 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(4-nitrophenyl...) Show SMILES CC(=NNC(=S)Nc1ccc(cc1)[N+]([O-])=O)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H14N4O3S/c1-11(16-10-12-4-2-3-5-15(12)24-16)19-20-17(25)18-13-6-8-14(9-7-13)21(22)23/h2-10H,1H3,(H2,18,20,25)/b19-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50561936 (CHEMBL4741833) Show SMILES CN1C(=O)C2(c3ccccc13)c1c(C)[nH]nc1NC(N)=C2C#N |c:22| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant rat ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate uM...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50561932 (CHEMBL4761451) Show SMILES CN1C(=O)C2(c3cc(F)ccc13)c1c(C)[nH]nc1NC(N)=C2C#N |c:23| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM57806 (1-[1-(1-benzofuran-2-yl)ethylideneamino]-3-(3-meth...) Show SMILES CC(=NNC(=S)Nc1cccc(C)c1)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C18H17N3OS/c1-12-6-5-8-15(10-12)19-18(23)21-20-13(2)17-11-14-7-3-4-9-16(14)22-17/h3-11H,1-2H3,(H2,19,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	283	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152602 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(2-methylpheny...) Show SMILES CC(=NNC(=S)Nc1ccccc1C)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C18H17N3OS/c1-12-7-3-5-9-15(12)19-18(23)21-20-13(2)17-11-14-8-4-6-10-16(14)22-17/h3-11H,1-2H3,(H2,19,21,23)/b20-13+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	314	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50561938 (CHEMBL4746633) Show SMILES Cc1nn(-c2ccc(C)cc2)c2nc(c(Cl)cc12)-c1cc(C)ccc1O Show InChI	PDB 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
TBA					Assay Description Inhibition of recombinant human ecto-5' nucleotidase expressed in COS7 cell membranes using AMP as substrate preincubated for 10 mins followed by sub...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152593 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(2-fluoropheny...) Show SMILES CC(=NNC(=S)Nc1ccccc1F)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H14FN3OS/c1-11(16-10-12-6-2-5-9-15(12)22-16)20-21-17(23)19-14-8-4-3-7-13(14)18/h2-10H,1H3,(H2,19,21,23)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	321	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152594 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(2,4-difluorop...) Show SMILES CC(=NNC(=S)Nc1ccc(F)cc1F)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H13F2N3OS/c1-10(16-8-11-4-2-3-5-15(11)23-16)21-22-17(24)20-14-7-6-12(18)9-13(14)19/h2-9H,1H3,(H2,20,22,24)/b21-10+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	387	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50561930 (CHEMBL4760778) Show SMILES CN1C(=O)C2(c3c[nH]nc3NC(N)=C2C#N)c2cc(F)ccc12 |c:13| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM167896 (3-(3′-Nitrophenyl)pyrido[2,3-b]pyrazine (6n)) Show SMILES [O-][N+](=O)c1cccc(c1)-c1cnc2cccnc2n1 Show InChI InChI=1S/C13H8N4O2/c18-17(19)10-4-1-3-9(7-10)12-8-15-11-5-2-6-14-13(11)16-12/h1-8H	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	466	n/a	n/a	n/a	n/a	8.0	25
University of Karachi					Assay Description A 96-microliter well plate was used for screening purpose. Each pyridopyrazine derivative was first dissolved in dimethyl sulfoxide to prepare the st...				Chem Biol Drug Des 86: 1115-20 (2015) Article DOI: 10.1111/cbdd.12579 BindingDB Entry DOI: 10.7270/Q2445K79
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50561931 (CHEMBL4746318) Show SMILES CN1C(=O)C2(c3c[nH]nc3NC(N)=C2C#N)c2cc(OC(F)(F)F)ccc12 |c:13| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant rat ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate uM...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152596 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(2-bromophenyl...) Show SMILES CC(=NNC(=S)Nc1ccccc1Br)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H14BrN3OS/c1-11(16-10-12-6-2-5-9-15(12)22-16)20-21-17(23)19-14-8-4-3-7-13(14)18/h2-10H,1H3,(H2,19,21,23)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	564	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM50237925 (CHEMBL4103223) Show SMILES COc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C)c(C#N)c(=O)oc2c1 Show InChI InChI=1S/C18H13NO6S/c1-11-15-8-5-13(9-17(15)24-18(20)16(11)10-19)25-26(21,22)14-6-3-12(23-2)4-7-14/h3-9H,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human TNAP using CDP-star as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins by spectrophotometr...				Eur J Med Chem 131: 29-47 (2017) Article DOI: 10.1016/j.ejmech.2017.03.003 BindingDB Entry DOI: 10.7270/Q2MS3W2X
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM167885 (3-(3′-Methylphenyl)pyrido[2,3-b]pyrazine (6c...) Show SMILES Cc1cccc(c1)-c1cnc2cccnc2n1 Show InChI InChI=1S/C14H11N3/c1-10-4-2-5-11(8-10)13-9-16-12-6-3-7-15-14(12)17-13/h2-9H,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	583	n/a	n/a	n/a	n/a	8.0	25
University of Karachi					Assay Description A 96-microliter well plate was used for screening purpose. Each pyridopyrazine derivative was first dissolved in dimethyl sulfoxide to prepare the st...				Chem Biol Drug Des 86: 1115-20 (2015) Article DOI: 10.1111/cbdd.12579 BindingDB Entry DOI: 10.7270/Q2445K79
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152589 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(2,4-dichlorop...) Show SMILES CC(=NNC(=S)Nc1ccc(Cl)cc1Cl)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H13Cl2N3OS/c1-10(16-8-11-4-2-3-5-15(11)23-16)21-22-17(24)20-14-7-6-12(18)9-13(14)19/h2-9H,1H3,(H2,20,22,24)/b21-10+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	592	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50561934 (CHEMBL4753669) Show SMILES CN1C(=O)C2(c3c[nH]nc3NC(N)=C2C#N)c2cc(Cl)ccc12 |c:13| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant rat ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate uM...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50561929 (CHEMBL4797703) Show SMILES CN1C(=O)C2(c3c[nH]nc3NC(N)=C2C#N)c2ccccc12 |c:13| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152603 (N-Allyl-2-(1-(benzofuran-2-yl)ethylidene)hydrazine...) Show SMILES CC(=NNC(=S)NCC=C)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C14H15N3OS/c1-3-8-15-14(19)17-16-10(2)13-9-11-6-4-5-7-12(11)18-13/h3-7,9H,1,8H2,2H3,(H2,15,17,19)/b16-10+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	694	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM50237961 (CHEMBL4060753) Show SMILES CCCCS(=O)(=O)Oc1ccc2c(C)c(C#N)c(=O)oc2c1 Show InChI InChI=1S/C15H15NO5S/c1-3-4-7-22(18,19)21-11-5-6-12-10(2)13(9-16)15(17)20-14(12)8-11/h5-6,8H,3-4,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human TNAP using CDP-star as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins by spectrophotometr...				Eur J Med Chem 131: 29-47 (2017) Article DOI: 10.1016/j.ejmech.2017.03.003 BindingDB Entry DOI: 10.7270/Q2MS3W2X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM167888 (3-(3′-Fluorophenyl)pyrido[2,3-b]pyrazine (6f...) Show SMILES Fc1cccc(c1)-c1cnc2cccnc2n1 Show InChI InChI=1S/C13H8FN3/c14-10-4-1-3-9(7-10)12-8-16-11-5-2-6-15-13(11)17-12/h1-8H	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	899	n/a	n/a	n/a	n/a	8.0	25
University of Karachi					Assay Description A 96-microliter well plate was used for screening purpose. Each pyridopyrazine derivative was first dissolved in dimethyl sulfoxide to prepare the st...				Chem Biol Drug Des 86: 1115-20 (2015) Article DOI: 10.1111/cbdd.12579 BindingDB Entry DOI: 10.7270/Q2445K79
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM50237964 (CHEMBL4090465) Show SMILES CCCCCCCCS(=O)(=O)Oc1ccc2c(C)c(C#N)c(=O)oc2c1 Show InChI InChI=1S/C19H23NO5S/c1-3-4-5-6-7-8-11-26(22,23)25-15-9-10-16-14(2)17(13-20)19(21)24-18(16)12-15/h9-10,12H,3-8,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human TNAP using CDP-star as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins by spectrophotometr...				Eur J Med Chem 131: 29-47 (2017) Article DOI: 10.1016/j.ejmech.2017.03.003 BindingDB Entry DOI: 10.7270/Q2MS3W2X
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM50237931 (CHEMBL4095459) Show SMILES CCCCCCCCS(=O)(=O)Oc1ccc2c(C)cc(=O)oc2c1OS(=O)(=O)CCCCCCCC Show InChI InChI=1S/C26H40O8S2/c1-4-6-8-10-12-14-18-35(28,29)33-23-17-16-22-21(3)20-24(27)32-25(22)26(23)34-36(30,31)19-15-13-11-9-7-5-2/h16-17,20H,4-15,18-19H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human TNAP using CDP-star as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins by spectrophotometr...				Eur J Med Chem 131: 29-47 (2017) Article DOI: 10.1016/j.ejmech.2017.03.003 BindingDB Entry DOI: 10.7270/Q2MS3W2X
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM50237942 (CHEMBL4078955) Show SMILES Cc1c(C#N)c(=O)oc2cc(OS(=O)(=O)c3ccccc3[N+]([O-])=O)ccc12 Show InChI InChI=1S/C17H10N2O7S/c1-10-12-7-6-11(8-15(12)25-17(20)13(10)9-18)26-27(23,24)16-5-3-2-4-14(16)19(21)22/h2-8H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
University of Karachi Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 44-53 nM				Eur J Med Chem 131: 29-47 (2017) Article DOI: 10.1016/j.ejmech.2017.03.003 BindingDB Entry DOI: 10.7270/Q2MS3W2X
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Homo sapiens (Human))	BDBM50237915 (CHEMBL4069435) Show SMILES Cc1c(C#N)c(=O)oc2cc(OS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc12 Show InChI InChI=1S/C17H10N2O7S/c1-10-14-7-4-12(8-16(14)25-17(20)15(10)9-18)26-27(23,24)13-5-2-11(3-6-13)19(21)22/h2-8H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human IAP using CDP-star as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins by spectrophotometri...				Eur J Med Chem 131: 29-47 (2017) Article DOI: 10.1016/j.ejmech.2017.03.003 BindingDB Entry DOI: 10.7270/Q2MS3W2X
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152588 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(3-chloropheny...) Show SMILES CC(=NNC(=S)Nc1cccc(Cl)c1)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H14ClN3OS/c1-11(16-9-12-5-2-3-8-15(12)22-16)20-21-17(23)19-14-7-4-6-13(18)10-14/h2-10H,1H3,(H2,19,21,23)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152592 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(3-fluoropheny...) Show SMILES CC(=NNC(=S)Nc1cccc(F)c1)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H14FN3OS/c1-11(16-9-12-5-2-3-8-15(12)22-16)20-21-17(23)19-14-7-4-6-13(18)10-14/h2-10H,1H3,(H2,19,21,23)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM50237939 (CHEMBL4077330) Show SMILES Cc1cc(=O)oc2c(OS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)c(OS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc12 Show InChI InChI=1S/C22H14N2O12S2/c1-13-12-20(25)34-21-18(13)10-11-19(35-37(30,31)16-6-2-14(3-7-16)23(26)27)22(21)36-38(32,33)17-8-4-15(5-9-17)24(28)29/h2-12H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human TNAP using CDP-star as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins by spectrophotometr...				Eur J Med Chem 131: 29-47 (2017) Article DOI: 10.1016/j.ejmech.2017.03.003 BindingDB Entry DOI: 10.7270/Q2MS3W2X
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM50237962 (CHEMBL4079164) Show SMILES Cc1c(Cl)c(=O)oc2cc(OS(=O)(=O)c3ccccc3[N+]([O-])=O)ccc12 Show InChI InChI=1S/C16H10ClNO7S/c1-9-11-7-6-10(8-13(11)24-16(19)15(9)17)25-26(22,23)14-5-3-2-4-12(14)18(20)21/h2-8H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human TNAP using CDP-star as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins by spectrophotometr...				Eur J Med Chem 131: 29-47 (2017) Article DOI: 10.1016/j.ejmech.2017.03.003 BindingDB Entry DOI: 10.7270/Q2MS3W2X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM167890 (3-(3′-Chlorophenyl)pyrido[2,3-b]pyrazine (6h...) Show SMILES Clc1cccc(c1)-c1cnc2cccnc2n1 Show InChI InChI=1S/C13H8ClN3/c14-10-4-1-3-9(7-10)12-8-16-11-5-2-6-15-13(11)17-12/h1-8H	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	8.0	25
University of Karachi					Assay Description A 96-microliter well plate was used for screening purpose. Each pyridopyrazine derivative was first dissolved in dimethyl sulfoxide to prepare the st...				Chem Biol Drug Des 86: 1115-20 (2015) Article DOI: 10.1111/cbdd.12579 BindingDB Entry DOI: 10.7270/Q2445K79
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM50237920 (CHEMBL4087225) Show SMILES Cc1cc(=O)oc2c(OS(=O)(=O)c3cc(Cl)ccc3Cl)c(OS(=O)(=O)c3cc(Cl)ccc3Cl)ccc12 Show InChI InChI=1S/C22H12Cl4O8S2/c1-11-8-20(27)32-21-14(11)4-7-17(33-35(28,29)18-9-12(23)2-5-15(18)25)22(21)34-36(30,31)19-10-13(24)3-6-16(19)26/h2-10H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human TNAP using CDP-star as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins by spectrophotometr...				Eur J Med Chem 131: 29-47 (2017) Article DOI: 10.1016/j.ejmech.2017.03.003 BindingDB Entry DOI: 10.7270/Q2MS3W2X
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM50237915 (CHEMBL4069435) Show SMILES Cc1c(C#N)c(=O)oc2cc(OS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc12 Show InChI InChI=1S/C17H10N2O7S/c1-10-14-7-4-12(8-16(14)25-17(20)15(10)9-18)26-27(23,24)13-5-2-11(3-6-13)19(21)22/h2-8H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Effect on functional cellular GR-antagonism (GRAF) in human Glucocorticoid receptor (GR) expressing cells				Eur J Med Chem 131: 29-47 (2017) Article DOI: 10.1016/j.ejmech.2017.03.003 BindingDB Entry DOI: 10.7270/Q2MS3W2X
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Homo sapiens (Human))	BDBM50237946 (CHEMBL4105082) Show SMILES Cc1cc(=O)oc2cc(OS(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)ccc12 Show InChI InChI=1S/C16H9Cl3O5S/c1-8-4-16(20)23-14-5-9(2-3-10(8)14)24-25(21,22)15-7-12(18)11(17)6-13(15)19/h2-7H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR)				Eur J Med Chem 131: 29-47 (2017) Article DOI: 10.1016/j.ejmech.2017.03.003 BindingDB Entry DOI: 10.7270/Q2MS3W2X
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM50237965 (CHEMBL4068298) Show SMILES Cc1c(Cl)c(=O)oc2cc(OS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)ccc12 Show InChI InChI=1S/C16H9Cl2NO7S/c1-8-11-4-2-9(6-14(11)25-16(20)15(8)18)26-27(23,24)10-3-5-12(17)13(7-10)19(21)22/h2-7H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human TNAP using CDP-star as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins by spectrophotometr...				Eur J Med Chem 131: 29-47 (2017) Article DOI: 10.1016/j.ejmech.2017.03.003 BindingDB Entry DOI: 10.7270/Q2MS3W2X
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50561937 (CHEMBL4780721) Show SMILES CN1C(=O)C2(c3cc(Cl)ccc13)c1c(C)[nH]nc1NC(N)=C2C#N |c:23| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant rat ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate uM...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00343 BindingDB Entry DOI: 10.7270/Q26T0RD7
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM50237928 (CHEMBL4084312) Show SMILES CCCCS(=O)(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 Show InChI InChI=1S/C14H15ClO5S/c1-3-4-7-21(17,18)20-10-5-6-11-9(2)13(15)14(16)19-12(11)8-10/h5-6,8H,3-4,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human TNAP using CDP-star as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins by spectrophotometr...				Eur J Med Chem 131: 29-47 (2017) Article DOI: 10.1016/j.ejmech.2017.03.003 BindingDB Entry DOI: 10.7270/Q2MS3W2X
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM50237916 (CHEMBL4094534) Show SMILES Cc1c(Cl)c(=O)oc2cc(OS(=O)(=O)c3cc(Cl)ccc3Cl)ccc12 Show InChI InChI=1S/C16H9Cl3O5S/c1-8-11-4-3-10(7-13(11)23-16(20)15(8)19)24-25(21,22)14-6-9(17)2-5-12(14)18/h2-7H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human TNAP using CDP-star as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins by spectrophotometr...				Eur J Med Chem 131: 29-47 (2017) Article DOI: 10.1016/j.ejmech.2017.03.003 BindingDB Entry DOI: 10.7270/Q2MS3W2X
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM167896 (3-(3′-Nitrophenyl)pyrido[2,3-b]pyrazine (6n)) Show SMILES [O-][N+](=O)c1cccc(c1)-c1cnc2cccnc2n1 Show InChI InChI=1S/C13H8N4O2/c18-17(19)10-4-1-3-9(7-10)12-8-15-11-5-2-6-14-13(11)16-12/h1-8H	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.89E+3	n/a	n/a	n/a	n/a	8.0	25
University of Karachi					Assay Description A 96-microliter well plate was used for screening purpose. Each pyridopyrazine derivative was first dissolved in dimethyl sulfoxide to prepare the st...				Chem Biol Drug Des 86: 1115-20 (2015) Article DOI: 10.1111/cbdd.12579 BindingDB Entry DOI: 10.7270/Q2445K79
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM50237923 (CHEMBL4075025) Show SMILES CCS(=O)(=O)Oc1ccc2c(C)cc(=O)oc2c1OS(=O)(=O)CC Show InChI InChI=1S/C14H16O8S2/c1-4-23(16,17)21-11-7-6-10-9(3)8-12(15)20-13(10)14(11)22-24(18,19)5-2/h6-8H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Effect on human Glucocorticoid receptor (GR) in a whole cell assay to measure functional cellular GR-antagonism (GRAF)				Eur J Med Chem 131: 29-47 (2017) Article DOI: 10.1016/j.ejmech.2017.03.003 BindingDB Entry DOI: 10.7270/Q2MS3W2X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM167895 (3-(4′-Nitrophenyl)pyrido[2,3-b]pyrazine (6m)) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cnc2cccnc2n1 Show InChI InChI=1S/C13H8N4O2/c18-17(19)10-5-3-9(4-6-10)12-8-15-11-2-1-7-14-13(11)16-12/h1-8H	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.97E+3	n/a	n/a	n/a	n/a	8.0	25
University of Karachi					Assay Description A 96-microliter well plate was used for screening purpose. Each pyridopyrazine derivative was first dissolved in dimethyl sulfoxide to prepare the st...				Chem Biol Drug Des 86: 1115-20 (2015) Article DOI: 10.1111/cbdd.12579 BindingDB Entry DOI: 10.7270/Q2445K79
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM50237963 (CHEMBL4098180) Show SMILES Cc1c(C#N)c(=O)oc2cc(OS(C)(=O)=O)ccc12 Show InChI InChI=1S/C12H9NO5S/c1-7-9-4-3-8(18-19(2,15)16)5-11(9)17-12(14)10(7)6-13/h3-5H,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human TNAP using CDP-star as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins by spectrophotometr...				Eur J Med Chem 131: 29-47 (2017) Article DOI: 10.1016/j.ejmech.2017.03.003 BindingDB Entry DOI: 10.7270/Q2MS3W2X
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152590 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(2,5-dichlorop...) Show SMILES CC(=NNC(=S)Nc1cc(Cl)ccc1Cl)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H13Cl2N3OS/c1-10(16-8-11-4-2-3-5-15(11)23-16)21-22-17(24)20-14-9-12(18)6-7-13(14)19/h2-9H,1H3,(H2,20,22,24)/b21-10+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.01E+3	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair

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