Compile Data Set for Download or QSAR

Found 688 hits with Last Name = 'choudhary' and Initial = 'mi'   

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
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	25	-44.1	n/a	n/a	n/a	n/a	n/a	n/a	30
University of Karachi					Assay Description AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method. all the inhibition studies were performed using ...				J Enzyme Inhib Med Chem 21: 703-10 (2006) Article DOI: 10.1080/14756360600889708 BindingDB Entry DOI: 10.7270/Q26D5RJS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	190	-39.0	n/a	n/a	n/a	n/a	n/a	n/a	30
University of Karachi					Assay Description AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method. all the inhibition studies were performed using ...				J Enzyme Inhib Med Chem 21: 703-10 (2006) Article DOI: 10.1080/14756360600889708 BindingDB Entry DOI: 10.7270/Q26D5RJS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	230	-38.5	n/a	n/a	n/a	n/a	n/a	n/a	30
University of Karachi					Assay Description AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method. all the inhibition studies were performed using ...				J Enzyme Inhib Med Chem 21: 703-10 (2006) Article DOI: 10.1080/14756360600889708 BindingDB Entry DOI: 10.7270/Q26D5RJS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibitory activity against AChE from electric eel				Bioorg Med Chem Lett 16: 573-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.042 BindingDB Entry DOI: 10.7270/Q29P3170
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50237977 (CHEMBL3310952) Show SMILES Oc1ccc(\C=N\NC(=O)c2ccncc2)cc1O Show InChI InChI=1S/C13H11N3O3/c17-11-2-1-9(7-12(11)18)8-15-16-13(19)10-3-5-14-6-4-10/h1-8,17-18H,(H,16,19)/b15-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Competitive inhibition of bovine xanthine oxidase using varying levels of xanthine as substrate preincubated for 10 mins followed by substrate additi...				Bioorg Med Chem 25: 2351-2371 (2017) Article DOI: 10.1016/j.bmc.2017.02.044 BindingDB Entry DOI: 10.7270/Q2C82CKQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50176468 (CHEMBL202223 | haloxysterol B) Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3C=CC4=C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C |c:13,t:15| Show InChI InChI=1S/C29H48O3/c1-7-19(17(2)3)14-26(31)18(4)23-10-11-24-22-9-8-20-15-21(30)16-27(32)29(20,6)25(22)12-13-28(23,24)5/h8-9,15,17-19,21-27,30-32H,7,10-14,16H2,1-6H3/t18-,19+,21+,22?,23+,24?,25?,26+,27-,28+,29-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibitory activity against AChE from electric eel				Bioorg Med Chem Lett 16: 573-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.042 BindingDB Entry DOI: 10.7270/Q29P3170
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50176465 (CHEMBL382961 | haloxysterol C) Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C |c:25,t:15| Show InChI InChI=1S/C29H46O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h13,17-20,23-25,27,31H,7-12,14-16H2,1-6H3/t19-,20+,23?,24+,25?,27+,28-,29+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
University of Karachi Curated by ChEMBL					Assay Description Inhibitory activity against AChE from electric eel				Bioorg Med Chem Lett 16: 573-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.042 BindingDB Entry DOI: 10.7270/Q29P3170
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222435 (N'',N'''-Bis[(E)-(2,6-dichlorophenyl)methylide...) Show SMILES Clc1cccc(Cl)c1\C=N\NC(=O)N\N=C\c1c(Cl)cccc1Cl Show InChI InChI=1S/C15H10Cl4N4O/c16-11-3-1-4-12(17)9(11)7-20-22-15(24)23-21-8-10-13(18)5-2-6-14(10)19/h1-8H,(H2,22,23,24)/b20-7+,21-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Karachi; Government College University Faisalabad					Assay Description Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222429 (N'',N'''-Bis[(E)-(2-nitrophenyl)methylidene]ca...) Show SMILES [O-][N+](=O)c1ccccc1\C=N\NC(=O)N\N=C\c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C15H12N6O5/c22-15(18-16-9-11-5-1-3-7-13(11)20(23)24)19-17-10-12-6-2-4-8-14(12)21(25)26/h1-10H,(H2,18,19,22)/b16-9+,17-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Karachi; Government College University Faisalabad					Assay Description Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50176467 (CHEMBL201253 | haloxysterol D) Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C Show InChI InChI=1S/C29H52O5/c1-7-18(16(2)3)12-24(31)17(4)21-8-9-22-20-14-26(33)29(34)15-19(30)13-25(32)28(29,6)23(20)10-11-27(21,22)5/h16-26,30-34H,7-15H2,1-6H3/t17-,18+,19-,20?,21+,22?,23?,24+,25-,26+,27+,28-,29-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibitory activity against BuChE from horse serum				Bioorg Med Chem Lett 16: 573-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.042 BindingDB Entry DOI: 10.7270/Q29P3170
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222428 (N'',N'''-Bis[(E)-(4-nitrophenyl)methylidene]ca...) Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H12N6O5/c22-15(18-16-9-11-1-5-13(6-2-11)20(23)24)19-17-10-12-3-7-14(8-4-12)21(25)26/h1-10H,(H2,18,19,22)/b16-9+,17-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Karachi; Government College University Faisalabad					Assay Description Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50512776 (CHEMBL4471134) Show SMILES Clc1cccc(Cl)c1NC(=O)c1ccccc1Br Show InChI InChI=1S/C13H8BrCl2NO/c14-9-5-2-1-4-8(9)13(18)17-12-10(15)6-3-7-11(12)16/h1-7H,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Uncompetitive inhibition of electric eel BChE using varying levels of butyrylcholine chloride as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 27: 4030-4040 (2019) Article DOI: 10.1016/j.bmc.2019.07.015 BindingDB Entry DOI: 10.7270/Q2T72MTF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM601760 (US11643395, Compound 6) Show SMILES Cc1c(N(Cc2ccccc2Br)Cc2ccccc2Br)c(=O)n(-c2ccccc2)n1C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4NNJ
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50176470 (24-ethyl-cholest-7-ene-3,5,6-triol | CHEMBL201951) Show SMILES CCC(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC(O)C4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |t:11| Show InChI InChI=1S/C29H50O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h16,18-21,23-26,30-32H,7-15,17H2,1-6H3/t19-,20?,21+,23-,24+,25+,26?,27-,28-,29?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibitory activity against BuChE from horse serum				Bioorg Med Chem Lett 16: 573-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.042 BindingDB Entry DOI: 10.7270/Q29P3170
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50176468 (CHEMBL202223 | haloxysterol B) Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3C=CC4=C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C |c:13,t:15| Show InChI InChI=1S/C29H48O3/c1-7-19(17(2)3)14-26(31)18(4)23-10-11-24-22-9-8-20-15-21(30)16-27(32)29(20,6)25(22)12-13-28(23,24)5/h8-9,15,17-19,21-27,30-32H,7,10-14,16H2,1-6H3/t18-,19+,21+,22?,23+,24?,25?,26+,27-,28+,29-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibitory activity against BuChE from horse serum				Bioorg Med Chem Lett 16: 573-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.042 BindingDB Entry DOI: 10.7270/Q29P3170
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222431 (N'',N'''-Bis[(E)-(4-bromophenyl)methylidene]ca...) Show SMILES Brc1ccc(\C=N\NC(=O)N\N=C\c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C15H12Br2N4O/c16-13-5-1-11(2-6-13)9-18-20-15(22)21-19-10-12-3-7-14(17)8-4-12/h1-10H,(H2,20,21,22)/b18-9+,19-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Karachi; Government College University Faisalabad					Assay Description Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Chymotrypsinogen A (Bos taurus (bovine))	BDBM222139 (Chymostatin | US11859014, Compound chymostatin) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCN=C(N)N1)C(=O)N[C@@H](Cc1ccccc1)C=O |t:28| Show InChI InChI=1S/C31H41N7O6/c1-19(2)15-24(27(40)34-22(18-39)16-20-9-5-3-6-10-20)35-28(41)26(23-13-14-33-30(32)36-23)38-31(44)37-25(29(42)43)17-21-11-7-4-8-12-21/h3-12,18-19,22-26H,13-17H2,1-2H3,(H,34,40)(H,35,41)(H,42,43)(H3,32,33,36)(H2,37,38,44)/t22-,23?,24-,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description The change in optical density per minute (OD/min) was obtained by incorporating various concentrations of compounds over a range of substrate (SPpNA)...				Bioorg Chem 70: 210-221 (2017) Article DOI: 10.1016/j.bioorg.2017.01.001 BindingDB Entry DOI: 10.7270/Q2QR4W00
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50512782 (CHEMBL4462721) Show SMILES Clc1cccc(Cl)c1NC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C13H8BrCl2NO/c14-9-6-4-8(5-7-9)13(18)17-12-10(15)2-1-3-11(12)16/h1-7H,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Mixed inhibition of equine serum BChE using varying levels of butyrylcholine chloride as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 27: 4030-4040 (2019) Article DOI: 10.1016/j.bmc.2019.07.015 BindingDB Entry DOI: 10.7270/Q2T72MTF
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222430 (N'',N'''-Bis[(E)-(2-chloro-5-nitrophenyl)methy...) Show SMILES [O-][N+](=O)c1ccc(Cl)c(\C=N\NC(=O)N\N=C\c2cc(ccc2Cl)[N+]([O-])=O)c1 Show InChI InChI=1S/C15H10Cl2N6O5/c16-13-3-1-11(22(25)26)5-9(13)7-18-20-15(24)21-19-8-10-6-12(23(27)28)2-4-14(10)17/h1-8H,(H2,20,21,24)/b18-7+,19-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Karachi; Government College University Faisalabad					Assay Description Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50176472 (CHEMBL202496 | lawsaritol) Show SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |t:14| Show InChI InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,23-27,30H,7-17H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibitory activity against BuChE from horse serum				Bioorg Med Chem Lett 16: 573-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.042 BindingDB Entry DOI: 10.7270/Q29P3170
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM246417 (US9447057, 1) Show SMILES C1C=Cc2ccc3cc(\C=N\c4nc(cs4)-c4ccccc4)cc4CC=C1c2c34 |c:1,t:27| Show InChI InChI=1S/C26H18N2S/c1-2-5-18(6-3-1)23-16-29-26(28-23)27-15-17-13-21-11-9-19-7-4-8-20-10-12-22(14-17)25(21)24(19)20/h1-7,9-11,13-16H,8,12H2/b27-15+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.82E+3	n/a	2.80E+3	n/a	n/a	n/a	n/a	6.8	n/a
TBA US Patent					Assay Description Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...				US Patent US9447057 (2016) BindingDB Entry DOI: 10.7270/Q2XG9Q2T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50176466 (24-ethylcholest-6-ene-3,5-diol | CHEMBL201866) Show SMILES CCC(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |c:12| Show InChI InChI=1S/C29H50O2/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-23-13-17-29(31)18-22(30)12-16-28(29,6)26(23)14-15-27(24,25)5/h13,17,19-26,30-31H,7-12,14-16,18H2,1-6H3/t20-,21?,22+,23+,24-,25+,26+,27-,28-,29?/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibitory activity against AChE from electric eel				Bioorg Med Chem Lett 16: 573-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.042 BindingDB Entry DOI: 10.7270/Q29P3170
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222433 (N'',N'''-Bis[(E)-(2-chlorophenyl)methylidene]c...) Show SMILES Clc1ccccc1\C=N\NC(=O)N\N=C\c1ccccc1Cl Show InChI InChI=1S/C15H12Cl2N4O/c16-13-7-3-1-5-11(13)9-18-20-15(22)21-19-10-12-6-2-4-8-14(12)17/h1-10H,(H2,20,21,22)/b18-9+,19-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Karachi; Government College University Faisalabad					Assay Description Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50176466 (24-ethylcholest-6-ene-3,5-diol | CHEMBL201866) Show SMILES CCC(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |c:12| Show InChI InChI=1S/C29H50O2/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-23-13-17-29(31)18-22(30)12-16-28(29,6)26(23)14-15-27(24,25)5/h13,17,19-26,30-31H,7-12,14-16,18H2,1-6H3/t20-,21?,22+,23+,24-,25+,26+,27-,28-,29?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibitory activity against BuChE from horse serum				Bioorg Med Chem Lett 16: 573-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.042 BindingDB Entry DOI: 10.7270/Q29P3170
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50512783 (CHEMBL4536564) Show SMILES Clc1cccc(Cl)c1NC(=O)c1ccccc1 Show InChI InChI=1S/C13H9Cl2NO/c14-10-7-4-8-11(15)12(10)16-13(17)9-5-2-1-3-6-9/h1-8H,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Mixed inhibition of equine serum BChE using varying levels of butyrylcholine chloride as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 27: 4030-4040 (2019) Article DOI: 10.1016/j.bmc.2019.07.015 BindingDB Entry DOI: 10.7270/Q2T72MTF
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50176469 (CHEMBL202221 | haloxysterol A) Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C |t:14| Show InChI InChI=1S/C29H50O3/c1-7-19(17(2)3)14-26(31)18(4)23-10-11-24-22-9-8-20-15-21(30)16-27(32)29(20,6)25(22)12-13-28(23,24)5/h8,17-19,21-27,30-32H,7,9-16H2,1-6H3/t18-,19+,21+,22?,23+,24?,25?,26+,27-,28+,29-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibitory activity against BuChE from horse serum				Bioorg Med Chem Lett 16: 573-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.042 BindingDB Entry DOI: 10.7270/Q29P3170
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50176473 ((24S)-ethylcholesta-7,9(11),22(E)-triene-3b-ol | C...) Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C |c:12,24| Show InChI InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,15,19-26,30H,7,12-14,16-18H2,1-6H3/b9-8+/t20-,21-,22?,23+,24+,25-,26+,28+,29-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibitory activity against BuChE from horse serum				Bioorg Med Chem Lett 16: 573-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.042 BindingDB Entry DOI: 10.7270/Q29P3170
					More data for this Ligand-Target Pair
Chymotrypsinogen A (Bos taurus (bovine))	BDBM50289012 (2-(2-Fluoro-phenyl)-benzo[d][1,3]oxazin-4-one | 2-...) Show SMILES Fc1ccccc1-c1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C14H8FNO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description The change in optical density per minute (OD/min) was obtained by incorporating various concentrations of compounds over a range of substrate (SPpNA)...				Bioorg Chem 70: 210-221 (2017) Article DOI: 10.1016/j.bioorg.2017.01.001 BindingDB Entry DOI: 10.7270/Q2QR4W00
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50176471 (5alpha,8alpha-epidioxy-(24S)-ethylcholesta-6,9(11)...) Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3)C(C)C |c:31,t:15| Show InChI InChI=1S/C29H44O3/c1-7-21(19(2)3)9-8-20(4)23-10-11-24-26(23,5)14-13-25-27(6)15-12-22(30)18-28(27)16-17-29(24,25)32-31-28/h8-9,13,16-17,19-24,30H,7,10-12,14-15,18H2,1-6H3/b9-8+/t20-,21-,22+,23-,24-,26-,27-,28-,29+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibitory activity against BuChE from horse serum				Bioorg Med Chem Lett 16: 573-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.042 BindingDB Entry DOI: 10.7270/Q29P3170
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50512784 (CHEMBL4579999) Show SMILES Fc1cccc(F)c1C(=O)Nc1c(Cl)cccc1Cl Show InChI InChI=1S/C13H7Cl2F2NO/c14-7-3-1-4-8(15)12(7)18-13(19)11-9(16)5-2-6-10(11)17/h1-6H,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Uncompetitive inhibition of electric eel BChE using varying levels of butyrylcholine chloride as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 27: 4030-4040 (2019) Article DOI: 10.1016/j.bmc.2019.07.015 BindingDB Entry DOI: 10.7270/Q2T72MTF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM601759 (US11643395, Compound 5) Show SMILES Cc1c(N(Cc2ccc(I)cc2)Cc2ccc(I)cc2)c(=O)n(-c2ccccc2)n1C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		5.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4NNJ
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Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50237969 (CHEMBL4059808) Show SMILES Oc1ccc(\C=N\NC(=O)c2cccnc2)cc1O Show InChI InChI=1S/C13H11N3O3/c17-11-4-3-9(6-12(11)18)7-15-16-13(19)10-2-1-5-14-8-10/h1-8,17-18H,(H,16,19)/b15-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Competitive inhibition of bovine xanthine oxidase using varying levels of xanthine as substrate preincubated for 10 mins followed by substrate additi...				Bioorg Med Chem 25: 2351-2371 (2017) Article DOI: 10.1016/j.bmc.2017.02.044 BindingDB Entry DOI: 10.7270/Q2C82CKQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50176469 (CHEMBL202221 | haloxysterol A) Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C |t:14| Show InChI InChI=1S/C29H50O3/c1-7-19(17(2)3)14-26(31)18(4)23-10-11-24-22-9-8-20-15-21(30)16-27(32)29(20,6)25(22)12-13-28(23,24)5/h8,17-19,21-27,30-32H,7,9-16H2,1-6H3/t18-,19+,21+,22?,23+,24?,25?,26+,27-,28+,29-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibitory activity against AChE from electric eel				Bioorg Med Chem Lett 16: 573-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.042 BindingDB Entry DOI: 10.7270/Q29P3170
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Escherichia coli)	BDBM222044 (5'-O-(4''-Bromobenzoyl)-thymidine-3...) Show SMILES Cc1cn([C@H]2C[C@H](OC(=O)c3ccc(Br)cc3)[C@@H](COC(=O)c3ccc(Br)cc3)O2)c(=O)[nH]c1=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.81E+3	-29.6	n/a	n/a	n/a	n/a	n/a	n/a	30
University of Karachi					Assay Description In kinetic assay, the TP enzyme (0.058 U/well) was incu- bated with different concentrations of inhibitor (0.5¿0.001 mM) for 10 min at 30 C. The rea...				Bioorg Chem 70: 44-56 (2017) Article DOI: 10.1016/j.bioorg.2016.11.007 BindingDB Entry DOI: 10.7270/Q2H70DPM
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM246422 (US9447057, 8) Show SMILES Oc1ccc(Cl)cc1\C=N\c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C16H11ClN2OS/c17-13-6-7-15(20)12(8-13)9-18-16-19-14(10-21-16)11-4-2-1-3-5-11/h1-10,20H/b18-9+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.89E+3	n/a	8.13E+3	n/a	n/a	n/a	n/a	6.8	n/a
TBA US Patent					Assay Description Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...				US Patent US9447057 (2016) BindingDB Entry DOI: 10.7270/Q2XG9Q2T
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibitory activity against BuChE from horse serum				Bioorg Med Chem Lett 16: 573-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.042 BindingDB Entry DOI: 10.7270/Q29P3170
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM246420 (US9447057, 6) Show SMILES COc1cccc(\C=N\c2nc(cs2)-c2ccccc2)c1O Show InChI InChI=1S/C17H14N2O2S/c1-21-15-9-5-8-13(16(15)20)10-18-17-19-14(11-22-17)12-6-3-2-4-7-12/h2-11,20H,1H3/b18-10+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.22E+3	n/a	8.80E+3	n/a	n/a	n/a	n/a	6.8	n/a
TBA US Patent					Assay Description Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...				US Patent US9447057 (2016) BindingDB Entry DOI: 10.7270/Q2XG9Q2T
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50448175 (CHEMBL3120552) Show SMILES S=C(Nc1ccccc1)Nc1cccnc1 Show InChI InChI=1S/C12H11N3S/c16-12(14-10-5-2-1-3-6-10)15-11-7-4-8-13-9-11/h1-9H,(H2,14,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Karachi Curated by ChEMBL					Assay Description Competitive inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysi...				Eur J Med Chem 74: 314-23 (2014) Article DOI: 10.1016/j.ejmech.2014.01.001 BindingDB Entry DOI: 10.7270/Q2VH5QBM
					More data for this Ligand-Target Pair
Chymotrypsinogen A (Bos taurus (bovine))	BDBM50077011 (2-Phenyl-4H-3,1-benzoxazin-4-one (3) | 2-Phenyl-be...) Show SMILES O=c1oc(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15-13(17-14)10-6-2-1-3-7-10/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description The change in optical density per minute (OD/min) was obtained by incorporating various concentrations of compounds over a range of substrate (SPpNA)...				Bioorg Chem 70: 210-221 (2017) Article DOI: 10.1016/j.bioorg.2017.01.001 BindingDB Entry DOI: 10.7270/Q2QR4W00
					More data for this Ligand-Target Pair
Chymotrypsinogen A (Bos taurus (bovine))	BDBM222117 (2-(2-Thienyl)-4H-3,1-benzoxazin-4-one (4) | US1158...) Show SMILES O=c1oc(nc2ccccc12)-c1cccs1 Show InChI InChI=1S/C12H7NO2S/c14-12-8-4-1-2-5-9(8)13-11(15-12)10-6-3-7-16-10/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description The change in optical density per minute (OD/min) was obtained by incorporating various concentrations of compounds over a range of substrate (SPpNA)...				Bioorg Chem 70: 210-221 (2017) Article DOI: 10.1016/j.bioorg.2017.01.001 BindingDB Entry DOI: 10.7270/Q2QR4W00
					More data for this Ligand-Target Pair
Chymotrypsinogen A (Bos taurus (bovine))	BDBM50289006 (2-(2-Bromo-phenyl)-benzo[d][1,3]oxazin-4-one | 2-(...) Show SMILES Brc1ccccc1-c1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C14H8BrNO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description The change in optical density per minute (OD/min) was obtained by incorporating various concentrations of compounds over a range of substrate (SPpNA)...				Bioorg Chem 70: 210-221 (2017) Article DOI: 10.1016/j.bioorg.2017.01.001 BindingDB Entry DOI: 10.7270/Q2QR4W00
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM246418 (US9447057, 4) Show SMILES CCOc1ccc(\C=N\c2nc(cs2)-c2ccccc2)cc1 Show InChI InChI=1S/C18H16N2OS/c1-2-21-16-10-8-14(9-11-16)12-19-18-20-17(13-22-18)15-6-4-3-5-7-15/h3-13H,2H2,1H3/b19-12+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.23E+3	n/a	1.12E+4	n/a	n/a	n/a	n/a	6.8	n/a
TBA US Patent					Assay Description Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...				US Patent US9447057 (2016) BindingDB Entry DOI: 10.7270/Q2XG9Q2T
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM246442 (US9447057, 2) Show SMILES C(=N/c1nc(cs1)-c1ccccc1)\c1c[nH]c2ccccc12 Show InChI InChI=1S/C18H13N3S/c1-2-6-13(7-3-1)17-12-22-18(21-17)20-11-14-10-19-16-9-5-4-8-15(14)16/h1-12,19H/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.60E+3	n/a	8.56E+3	n/a	n/a	n/a	n/a	6.8	n/a
TBA US Patent					Assay Description Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...				US Patent US9447057 (2016) BindingDB Entry DOI: 10.7270/Q2XG9Q2T
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM246443 (US9447057, 3) Show SMILES CCOc1cccc(\C=N\c2nc(cs2)-c2ccccc2)c1O Show InChI InChI=1S/C18H16N2O2S/c1-2-22-16-10-6-9-14(17(16)21)11-19-18-20-15(12-23-18)13-7-4-3-5-8-13/h3-12,21H,2H2,1H3/b19-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.70E+3	n/a	7.90E+3	n/a	n/a	n/a	n/a	6.8	n/a
TBA US Patent					Assay Description Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...				US Patent US9447057 (2016) BindingDB Entry DOI: 10.7270/Q2XG9Q2T
					More data for this Ligand-Target Pair
Chymotrypsinogen A (Bos taurus (bovine))	BDBM222124 (2-(2-Methylphenyl)-4H-3,1-benzoxazin-4-one (13)) Show SMILES Cc1ccccc1-c1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C15H11NO2/c1-10-6-2-3-7-11(10)14-16-13-9-5-4-8-12(13)15(17)18-14/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi					Assay Description The change in optical density per minute (OD/min) was obtained by incorporating various concentrations of compounds over a range of substrate (SPpNA)...				Bioorg Chem 70: 210-221 (2017) Article DOI: 10.1016/j.bioorg.2017.01.001 BindingDB Entry DOI: 10.7270/Q2QR4W00
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50512778 (CHEMBL4542735) Show SMILES Fc1ccc(cc1)C(=O)Nc1c(Cl)cccc1Cl Show InChI InChI=1S/C13H8Cl2FNO/c14-10-2-1-3-11(15)12(10)17-13(18)8-4-6-9(16)7-5-8/h1-7H,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Mixed inhibition of equine serum BChE using varying levels of butyrylcholine chloride as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 27: 4030-4040 (2019) Article DOI: 10.1016/j.bmc.2019.07.015 BindingDB Entry DOI: 10.7270/Q2T72MTF
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Escherichia coli)	BDBM222045 (5'-O-(3''-Bromobenzoyl)-thymidine (15)) Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COC(=O)c3cccc(Br)c3)O2)c(=O)[nH]c1=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.14E+4	-28.7	n/a	n/a	n/a	n/a	n/a	n/a	30
University of Karachi					Assay Description In kinetic assay, the TP enzyme (0.058 U/well) was incu- bated with different concentrations of inhibitor (0.5¿0.001 mM) for 10 min at 30 C. The rea...				Bioorg Chem 70: 44-56 (2017) Article DOI: 10.1016/j.bioorg.2016.11.007 BindingDB Entry DOI: 10.7270/Q2H70DPM
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50448176 (CHEMBL3120570) Show SMILES Clc1cccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C13H9Cl3N2S/c14-8-2-1-3-9(6-8)17-13(19)18-10-4-5-11(15)12(16)7-10/h1-7H,(H2,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Karachi Curated by ChEMBL					Assay Description Competitive inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysi...				Eur J Med Chem 74: 314-23 (2014) Article DOI: 10.1016/j.ejmech.2014.01.001 BindingDB Entry DOI: 10.7270/Q2VH5QBM
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM246421 (US9447057, 7) Show SMILES C(=N/c1nc(cs1)-c1ccccc1)\c1ccc2ccccc2c1 Show InChI InChI=1S/C20H14N2S/c1-2-7-17(8-3-1)19-14-23-20(22-19)21-13-15-10-11-16-6-4-5-9-18(16)12-15/h1-14H/b21-13+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.19E+4	n/a	9.33E+3	n/a	n/a	n/a	n/a	6.8	n/a
TBA US Patent					Assay Description Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...				US Patent US9447057 (2016) BindingDB Entry DOI: 10.7270/Q2XG9Q2T
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50448174 (CHEMBL3120548) Show SMILES Cc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C14H13ClN2S/c1-10-5-7-12(8-6-10)16-14(18)17-13-4-2-3-11(15)9-13/h2-9H,1H3,(H2,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Karachi Curated by ChEMBL					Assay Description Non-competitive inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot ana...				Eur J Med Chem 74: 314-23 (2014) Article DOI: 10.1016/j.ejmech.2014.01.001 BindingDB Entry DOI: 10.7270/Q2VH5QBM
					More data for this Ligand-Target Pair

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