Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'akhtar' and Initial = 't'   

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 [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123737 (2-(4-Nitrophenyl)amino-5-(1-(4-bromophenoxy)propyl...) Show SMILES CCC(Oc1ccc(Br)cc1)c1nnc(Nc2ccc(cc2)[N+]([O-])=O)o1 Show InChI InChI=1S/C17H15BrN4O4/c1-2-15(25-14-9-3-11(18)4-10-14)16-20-21-17(26-16)19-12-5-7-13(8-6-12)22(23)24/h3-10,15H,2H2,1H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.03E+3	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123723 (2-(4-Fluorophenyl)amino-5-(1-(4-bromophenoxy)ethyl...) Show SMILES CC(Oc1ccc(Br)cc1)c1nnc(Nc2ccc(F)cc2)o1 Show InChI InChI=1S/C16H13BrFN3O2/c1-10(22-14-8-2-11(17)3-9-14)15-20-21-16(23-15)19-13-6-4-12(18)5-7-13/h2-10H,1H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.21E+3	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123736 (2-(4-Fluorophenyl)amino-5-(1-(4-methylphenoxy)prop...) Show SMILES CCC(Oc1ccc(C)cc1)c1nnc(Nc2ccc(F)cc2)o1 Show InChI InChI=1S/C18H18FN3O2/c1-3-16(23-15-10-4-12(2)5-11-15)17-21-22-18(24-17)20-14-8-6-13(19)7-9-14/h4-11,16H,3H2,1-2H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.42E+3	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123734 (2-(4-Fluorophenyl)amino-5-(1-(4-bromophenoxy)propy...) Show SMILES CCC(Oc1ccc(Br)cc1)c1nnc(Nc2ccc(F)cc2)o1 Show InChI InChI=1S/C17H15BrFN3O2/c1-2-15(23-14-9-3-11(18)4-10-14)16-21-22-17(24-16)20-13-7-5-12(19)6-8-13/h3-10,15H,2H2,1H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.65E+3	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123735 (2-(4-Fluorophenyl)amino-5-(1-(3,4-dichlorophenoxy)...) Show SMILES CCC(Oc1ccc(Cl)c(Cl)c1)c1nnc(Nc2ccc(F)cc2)o1 Show InChI InChI=1S/C17H14Cl2FN3O2/c1-2-15(24-12-7-8-13(18)14(19)9-12)16-22-23-17(25-16)21-11-5-3-10(20)4-6-11/h3-9,15H,2H2,1H3,(H,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.02E+3	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123719 (2-(4-Methylphenyl)amino-5-(1-(4-methylphenoxy)ethy...) Show SMILES CC(Oc1ccc(C)cc1)c1nnc(Nc2ccc(C)cc2)o1 Show InChI InChI=1S/C18H19N3O2/c1-12-4-8-15(9-5-12)19-18-21-20-17(23-18)14(3)22-16-10-6-13(2)7-11-16/h4-11,14H,1-3H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.82E+3	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123730 (2-(4-Chlorophenyl)amino-5-(1-(4-methylphenoxy)ethy...) Show SMILES CC(Oc1ccc(C)cc1)c1nnc(Nc2ccc(Cl)cc2)o1 Show InChI InChI=1S/C17H16ClN3O2/c1-11-3-9-15(10-4-11)22-12(2)16-20-21-17(23-16)19-14-7-5-13(18)6-8-14/h3-10,12H,1-2H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123727 (2-(4-Chlorophenyl)amino-5-(1-(4-bromophenoxy)ethyl...) Show SMILES CC(Oc1ccc(Br)cc1)c1nnc(Nc2ccc(Cl)cc2)o1 Show InChI InChI=1S/C16H13BrClN3O2/c1-10(22-14-8-2-11(17)3-9-14)15-20-21-16(23-15)19-13-6-4-12(18)5-7-13/h2-10H,1H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123726 (2-(4-Fluorophenyl)amino-5-(1-(4-methylphenoxy)ethy...) Show SMILES CC(Oc1ccc(C)cc1)c1nnc(Nc2ccc(F)cc2)o1 Show InChI InChI=1S/C17H16FN3O2/c1-11-3-9-15(10-4-11)22-12(2)16-20-21-17(23-16)19-14-7-5-13(18)6-8-14/h3-10,12H,1-2H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM233143 (5-(Hydroxybenzyl)-2-(4-methylphenyl)amino-1,3,4-ox...) Show SMILES Cc1ccc(Nc2nnc(o2)C(O)c2ccccc2)cc1 |w:11.12| Show InChI InChI=1S/C16H15N3O2/c1-11-7-9-13(10-8-11)17-16-19-18-15(21-16)14(20)12-5-3-2-4-6-12/h2-10,14,20H,1H3,(H,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University					Assay Description The synthesized compounds (4a-e, 5a-e) were tested for their in vitro urease inhibition activities at 0.2 mM concentration against jack bean urease. ...				J Enzyme Inhib Med Chem 25: 572-6 (2010) Article DOI: 10.3109/14756360903389864 BindingDB Entry DOI: 10.7270/Q25H7F5M
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM233147 (5-(Hydroxybenzyl)-4-(4-methylphenyl)-2H-1,2,4-tria...) Show SMILES Cc1ccc(cc1)-n1c(n[nH]c1=S)C(O)c1ccccc1 |w:13.15| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University					Assay Description The synthesized compounds (4a-e, 5a-e) were tested for their in vitro urease inhibition activities at 0.2 mM concentration against jack bean urease. ...				J Enzyme Inhib Med Chem 25: 572-6 (2010) Article DOI: 10.3109/14756360903389864 BindingDB Entry DOI: 10.7270/Q25H7F5M
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM233146 (5-(Hydroxybenzyl)-4-(4-chlorophenyl)-2H-1,2,4-tria...) Show SMILES OC(c1n[nH]c(=S)n1-c1ccc(Cl)cc1)c1ccccc1 |w:1.0| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University					Assay Description The synthesized compounds (4a-e, 5a-e) were tested for their in vitro urease inhibition activities at 0.2 mM concentration against jack bean urease. ...				J Enzyme Inhib Med Chem 25: 572-6 (2010) Article DOI: 10.3109/14756360903389864 BindingDB Entry DOI: 10.7270/Q25H7F5M
					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	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University					Assay Description The synthesized compounds (4a-e, 5a-e) were tested for their in vitro urease inhibition activities at 0.2 mM concentration against jack bean urease. ...				J Enzyme Inhib Med Chem 25: 572-6 (2010) Article DOI: 10.3109/14756360903389864 BindingDB Entry DOI: 10.7270/Q25H7F5M
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110174 ((2-chlorophenyl)thiourea | Thiourea) Show SMILES NC(=S)Nc1ccccc1Cl Show InChI InChI=1S/C7H7ClN2S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123717 (2-(4-Methylphenyl)amino-5-(1-(4-chlorophenoxy)ethy...) Show SMILES CC(Oc1ccc(Cl)cc1)c1nnc(Nc2ccc(C)cc2)o1 Show InChI InChI=1S/C17H16ClN3O2/c1-11-3-7-14(8-4-11)19-17-21-20-16(23-17)12(2)22-15-9-5-13(18)6-10-15/h3-10,12H,1-2H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.62E+4	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM233145 (5-(Hydroxybenzyl)-4-(4-bromophenyl)-2H-1,2,4-triaz...) Show SMILES OC(c1n[nH]c(=S)n1-c1ccc(Br)cc1)c1ccccc1 |w:1.0| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University					Assay Description The synthesized compounds (4a-e, 5a-e) were tested for their in vitro urease inhibition activities at 0.2 mM concentration against jack bean urease. ...				J Enzyme Inhib Med Chem 25: 572-6 (2010) Article DOI: 10.3109/14756360903389864 BindingDB Entry DOI: 10.7270/Q25H7F5M
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123728 (2-(4-Chlorophenyl)amino-5-(1-(4-chlorophenoxy)ethy...) Show SMILES CC(Oc1ccc(Cl)cc1)c1nnc(Nc2ccc(Cl)cc2)o1 Show InChI InChI=1S/C16H13Cl2N3O2/c1-10(22-14-8-4-12(18)5-9-14)15-20-21-16(23-15)19-13-6-2-11(17)3-7-13/h2-10H,1H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.32E+4	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123718 (2-(4-Methylphenyl)amino-5-(1-(4-bromophenoxy)ethyl...) Show SMILES CC(Oc1ccc(Br)cc1)c1nnc(Nc2ccc(C)cc2)o1 Show InChI InChI=1S/C17H16BrN3O2/c1-11-3-7-14(8-4-11)19-17-21-20-16(23-17)12(2)22-15-9-5-13(18)6-10-15/h3-10,12H,1-2H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.35E+4	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123733 (2-(4-Bromophenyl)amino-5-(1-(4-methylphenoxy)ethyl...) Show SMILES CC(Oc1ccc(C)cc1)c1nnc(Nc2ccc(Br)cc2)o1 Show InChI InChI=1S/C17H16BrN3O2/c1-11-3-9-15(10-4-11)22-12(2)16-20-21-17(23-16)19-14-7-5-13(18)6-8-14/h3-10,12H,1-2H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.58E+4	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123720 (2-(4-Methylphenyl)amino-5-(1-(3,4-dichlorophenoxy)...) Show SMILES CC(Oc1ccc(Cl)c(Cl)c1)c1nnc(Nc2ccc(C)cc2)o1 Show InChI InChI=1S/C17H15Cl2N3O2/c1-10-3-5-12(6-4-10)20-17-22-21-16(24-17)11(2)23-13-7-8-14(18)15(19)9-13/h3-9,11H,1-2H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123729 (2-(4-Chlorophenyl)amino-5-(1-(3,4-dichlorophenoxy)...) Show SMILES CC(Oc1ccc(Cl)c(Cl)c1)c1nnc(Nc2ccc(Cl)cc2)o1 Show InChI InChI=1S/C16H12Cl3N3O2/c1-9(23-12-6-7-13(18)14(19)8-12)15-21-22-16(24-15)20-11-4-2-10(17)3-5-11/h2-9H,1H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.28E+4	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123725 (2-(4-Fluorophenyl)amino)-5-(1-(3,4-dichlorophenoxy...) Show SMILES CC(Oc1ccc(Cl)c(Cl)c1)c1nnc(Nc2ccc(F)cc2)o1 Show InChI InChI=1S/C16H12Cl2FN3O2/c1-9(23-12-6-7-13(17)14(18)8-12)15-21-22-16(24-15)20-11-4-2-10(19)3-5-11/h2-9H,1H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.53E+4	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123732 (2-(4-Bromophenyl)amino-5-(1-(4-bromophenoxy)propyl...) Show SMILES CCC(Oc1ccc(Br)cc1)c1nnc(Nc2ccc(Br)cc2)o1 Show InChI InChI=1S/C17H15Br2N3O2/c1-2-15(23-14-9-5-12(19)6-10-14)16-21-22-17(24-16)20-13-7-3-11(18)4-8-13/h3-10,15H,2H2,1H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.55E+4	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123724 (2-(4-Fluorophenyl)amino-5-(1-(4-chlorophenoxy)ethy...) Show SMILES CC(Oc1ccc(Cl)cc1)c1nnc(Nc2ccc(F)cc2)o1 Show InChI InChI=1S/C16H13ClFN3O2/c1-10(22-14-8-2-11(17)3-9-14)15-20-21-16(23-15)19-13-6-4-12(18)5-7-13/h2-10H,1H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.59E+4	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123722 (2-(4-Methylphenyl)amino-5-(1-(3,4-dichlorophenoxy)...) Show SMILES CCC(Oc1ccc(Cl)c(Cl)c1)c1nnc(Nc2ccc(C)cc2)o1 Show InChI InChI=1S/C18H17Cl2N3O2/c1-3-16(24-13-8-9-14(19)15(20)10-13)17-22-23-18(25-17)21-12-6-4-11(2)5-7-12/h4-10,16H,3H2,1-2H3,(H,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.74E+4	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123721 (2-(4-Methylphenyl)amino-5-(1-(4-bromophenoxy)propy...) Show SMILES CCC(Oc1ccc(Br)cc1)c1nnc(Nc2ccc(C)cc2)o1 Show InChI InChI=1S/C18H18BrN3O2/c1-3-16(23-15-10-6-13(19)7-11-15)17-21-22-18(24-17)20-14-8-4-12(2)5-9-14/h4-11,16H,3H2,1-2H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.74E+4	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM123731 (2-(4-Chlorophenyl)amino-5-(1-(4-methylphenoxy)ethy...) Show SMILES CCC(Oc1ccc(Br)cc1)c1nnc(Nc2ccc(Cl)cc2)o1 Show InChI InChI=1S/C17H15BrClN3O2/c1-2-15(23-14-9-3-11(18)4-10-14)16-21-22-17(24-16)20-13-7-5-12(19)6-8-13/h3-10,15H,2H2,1H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.72E+4	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM233144 (5-(Hydroxybenzyl)-2-(4-nitrophenyl)amino-1,3,4-oxa...) Show SMILES OC(c1nnc(Nc2ccc(cc2)[N+]([O-])=O)o1)c1ccccc1 |w:1.0| Show InChI InChI=1S/C15H12N4O4/c20-13(10-4-2-1-3-5-10)14-17-18-15(23-14)16-11-6-8-12(9-7-11)19(21)22/h1-9,13,20H,(H,16,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University					Assay Description The synthesized compounds (4a-e, 5a-e) were tested for their in vitro urease inhibition activities at 0.2 mM concentration against jack bean urease. ...				J Enzyme Inhib Med Chem 25: 572-6 (2010) Article DOI: 10.3109/14756360903389864 BindingDB Entry DOI: 10.7270/Q25H7F5M
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM233148 (5-(Hydroxybenzyl)-4-(4-nitrophenyl)-2H-1,2,4-triaz...) Show SMILES OC(c1n[nH]c(=S)n1-c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |w:1.0| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.32E+5	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University					Assay Description The synthesized compounds (4a-e, 5a-e) were tested for their in vitro urease inhibition activities at 0.2 mM concentration against jack bean urease. ...				J Enzyme Inhib Med Chem 25: 572-6 (2010) Article DOI: 10.3109/14756360903389864 BindingDB Entry DOI: 10.7270/Q25H7F5M
					More data for this Ligand-Target Pair