Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'hashim' and Initial = 'j'   

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
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM175363 (Ethyl 2-hydrazinyl-1,4-dimethyl-6-(p-nitrophenyl)-...) Show SMILES CCOC(=O)C1=C(C)N=C(NN)N(C)C1c1ccc(cc1)[N+]([O-])=O |c:5,t:8| Show InChI InChI=1S/C15H19N5O4/c1-4-24-14(21)12-9(2)17-15(18-16)19(3)13(12)10-5-7-11(8-6-10)20(22)23/h5-8,13H,4,16H2,1-3H3,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.46E+4	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM175361 (Methyl 2-hydrazinyl-1,4-dimethyl-6-(p-tolyl)-1,6-d...) Show SMILES COC(=O)C1=C(C)N=C(NN)N(C)C1c1ccc(C)cc1 |c:4,t:7| Show InChI InChI=1S/C15H20N4O2/c1-9-5-7-11(8-6-9)13-12(14(20)21-4)10(2)17-15(18-16)19(13)3/h5-8,13H,16H2,1-4H3,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.51E+4	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM175362 (Ethyl 2-hydrazinyl-6-(3-hydroxyphenyl)-1,4-dimethy...) Show SMILES CCOC(=O)C1=C(C)N=C(NN)N(C)C1c1cccc(O)c1 |c:5,t:8| Show InChI InChI=1S/C15H20N4O3/c1-4-22-14(21)12-9(2)17-15(18-16)19(3)13(12)10-6-5-7-11(20)8-10/h5-8,13,20H,4,16H2,1-3H3,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.53E+4	n/a	1.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM175352 (Ethyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydr...) Show SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1ccccc1 |c:5| Show InChI InChI=1S/C14H16N2O2S/c1-3-18-13(17)11-9(2)15-14(19)16-12(11)10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3,(H2,15,16,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.58E+4	n/a	3.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM175353 (Ethyl 6-methyl-4-(p-tolyl)-2-thioxo-1,2,3,4-tetrah...) Show SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(C)cc1 |c:5| Show InChI InChI=1S/C15H18N2O2S/c1-4-19-14(18)12-10(3)16-15(20)17-13(12)11-7-5-9(2)6-8-11/h5-8,13H,4H2,1-3H3,(H2,16,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	n/a	4.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM175358 (Ethyl 2-hydrazinyl-1,4-dimethyl-6-phenyl-1,6-dihyd...) Show SMILES CCOC(=O)C1=C(C)N=C(NN)N(C)C1c1ccccc1 |c:5,t:8| Show InChI InChI=1S/C15H20N4O2/c1-4-21-14(20)12-10(2)17-15(18-16)19(3)13(12)11-8-6-5-7-9-11/h5-9,13H,4,16H2,1-3H3,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.76E+4	n/a	2.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM175357 (Ethyl 6-methyl-4-(p-nitrophenyl)-2-thioxo-1,2,3,4-...) Show SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(cc1)[N+]([O-])=O |c:5| Show InChI InChI=1S/C14H15N3O4S/c1-3-21-13(18)11-8(2)15-14(22)16-12(11)9-4-6-10(7-5-9)17(19)20/h4-7,12H,3H2,1-2H3,(H2,15,16,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.94E+4	n/a	4.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM175360 (Methyl 2-hydrazinyl-1,4-dimethyl-6-phenyl-1,6-dihy...) Show SMILES COC(=O)C1=C(C)N=C(NN)N(C)C1c1ccccc1 |c:4,t:7| Show InChI InChI=1S/C14H18N4O2/c1-9-11(13(19)20-3)12(10-7-5-4-6-8-10)18(2)14(16-9)17-15/h4-8,12H,15H2,1-3H3,(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.99E+4	n/a	2.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50229993 (2-thiourea | CHEMBL260876 | Thiocarbamid | Thiohar...) Show SMILES NC(N)=S Show InChI InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	2.00E+4	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM175355 (Methyl 6-methyl-4-(p-tolyl)-2-thioxo-1,2,3,4-tetra...) Show SMILES COC(=O)C1=C(C)NC(=S)NC1c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C14H16N2O2S/c1-8-4-6-10(7-5-8)12-11(13(17)18-3)9(2)15-14(19)16-12/h4-7,12H,1-3H3,(H2,15,16,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.20E+4	n/a	4.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM175354 (Methyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahyd...) Show SMILES COC(=O)C1=C(C)NC(=S)NC1c1ccccc1 |c:4| Show InChI InChI=1S/C13H14N2O2S/c1-8-10(12(16)17-2)11(15-13(18)14-8)9-6-4-3-5-7-9/h3-7,11H,1-2H3,(H2,14,15,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.28E+4	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM175356 (Ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,...) Show SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1cccc(O)c1 |c:5| Show InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	2.57E+4	n/a	3.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM175359 (Ethyl 2-hydrazinyl-1,4-dimethyl-6-(p-tolyl)-1,6-di...) Show SMILES CCOC(=O)C1=C(C)N=C(NN)N(C)C1c1ccc(C)cc1 |c:5,t:8| Show InChI InChI=1S/C16H22N4O2/c1-5-22-15(21)13-11(3)18-16(19-17)20(4)14(13)12-8-6-10(2)7-9-12/h6-9,14H,5,17H2,1-4H3,(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.94E+4	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 ...				Bioorg Chem 64: 85-96 (2016) Article DOI: 10.1016/j.bioorg.2015.12.007 BindingDB Entry DOI: 10.7270/Q2GX49CF
					More data for this Ligand-Target Pair
Proteasome assembly chaperone 3 (Homo sapiens (Human))	BDBM50316413 ((S)-2-hydroxy-2-(((S,E)-4-(hydroxy((1R,2R,4aS,8aR)...) Show SMILES CC(C)[C@@](O)(C[C@@H]1N(C)C(=O)C(C(=O)[C@@H]2[C@H](C)C=C[C@@H]3CCCC[C@@H]23)C1=O)C(O)=O |r,c:17| Show InChI InChI=1S/C23H33NO6/c1-12(2)23(30,22(28)29)11-16-19(25)18(21(27)24(16)4)20(26)17-13(3)9-10-14-7-5-6-8-15(14)17/h9-10,12-18,30H,5-8,11H2,1-4H3,(H,28,29)/t13-,14+,15-,16+,17-,18?,23+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Biomedicinal Information Research Center (BIRC) Curated by ChEMBL					Assay Description Inhibition of PAC3 homodimerization by protein fragment complementation assay				J Nat Prod 73: 628-31 (2010) Article DOI: 10.1021/np900788e BindingDB Entry DOI: 10.7270/Q2M61KD2
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50384889 (CHEMBL2036061) Show SMILES CCCC=C(C)c1cc(O)c2C[C@H]3[C@@](C)(CC[C@H]4O[C@H](CC[C@]34C)C(C)(O)C(O)=O)Oc2c1O |r,w:3.2| Show InChI InChI=1S/C27H38O7/c1-6-7-8-15(2)16-13-18(28)17-14-19-25(3)11-9-21(27(5,32)24(30)31)33-20(25)10-12-26(19,4)34-23(17)22(16)29/h8,13,19-21,28-29,32H,6-7,9-12,14H2,1-5H3,(H,30,31)/t19-,20-,21-,25-,26-,27?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Biomedicinal Information Research Center (BIRC) Curated by ChEMBL					Assay Description Inhibition of human Tdp1 using 3'-phosphate-(4-methylumbelliferone)-thymidine as substrate after 180 mins by spectrophotometry				J Nat Prod 75: 764-7 (2012) Article DOI: 10.1021/np2007389 BindingDB Entry DOI: 10.7270/Q2V9893K
					More data for this Ligand-Target Pair