Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50044787   

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))	BDBM50030454 (CHEMBL3344295) Show SMILES COc1ccc(NC(=S)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCN(CC2)c2nsc3ccccc23)cc1 |r| Show InChI InChI=1S/C42H51N9O6S2/c1-27(2)37(41(56)51-19-9-13-33(51)40(55)50-22-20-49(21-23-50)38-31-12-7-8-14-34(31)59-48-38)47-36(53)25-43-39(54)32(24-28-10-5-4-6-11-28)46-35(52)26-44-42(58)45-29-15-17-30(57-3)18-16-29/h4-8,10-12,14-18,27,32-33,37H,9,13,19-26H2,1-3H3,(H,43,54)(H,46,52)(H,47,53)(H2,44,45,58)/t32-,33-,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030453 (CHEMBL3344294) Show SMILES COc1ccc(NC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCN(CC2)c2nsc3ccccc23)cc1 |r| Show InChI InChI=1S/C42H51N9O7S/c1-27(2)37(41(56)51-19-9-13-33(51)40(55)50-22-20-49(21-23-50)38-31-12-7-8-14-34(31)59-48-38)47-36(53)25-43-39(54)32(24-28-10-5-4-6-11-28)46-35(52)26-44-42(57)45-29-15-17-30(58-3)18-16-29/h4-8,10-12,14-18,27,32-33,37H,9,13,19-26H2,1-3H3,(H,43,54)(H,46,52)(H,47,53)(H2,44,45,57)/t32-,33-,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030402 (CHEMBL3344255) Show SMILES COc1ccc(NC(=S)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCN(CC2)c2nsc3ccccc23)cc1 |r| Show InChI InChI=1S/C38H51N9O6S2/c1-23(2)32(42-31(49)22-40-38(54)41-25-12-14-26(53-5)15-13-25)35(50)39-21-30(48)43-33(24(3)4)37(52)47-16-8-10-28(47)36(51)46-19-17-45(18-20-46)34-27-9-6-7-11-29(27)55-44-34/h6-7,9,11-15,23-24,28,32-33H,8,10,16-22H2,1-5H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,54)/t28-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030450 (CHEMBL3344291) Show SMILES COc1ccccc1NC(=S)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C42H51N9O6S2/c1-27(2)37(41(56)51-19-11-16-32(51)40(55)50-22-20-49(21-23-50)38-29-14-7-10-18-34(29)59-48-38)47-36(53)25-43-39(54)31(24-28-12-5-4-6-13-28)45-35(52)26-44-42(58)46-30-15-8-9-17-33(30)57-3/h4-10,12-15,17-18,27,31-32,37H,11,16,19-26H2,1-3H3,(H,43,54)(H,45,52)(H,47,53)(H2,44,46,58)/t31-,32-,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030452 (CHEMBL3344293) Show SMILES COc1cccc(NC(=S)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCN(CC2)c2nsc3ccccc23)c1 |r| Show InChI InChI=1S/C42H51N9O6S2/c1-27(2)37(41(56)51-18-10-16-33(51)40(55)50-21-19-49(20-22-50)38-31-15-7-8-17-34(31)59-48-38)47-36(53)25-43-39(54)32(23-28-11-5-4-6-12-28)46-35(52)26-44-42(58)45-29-13-9-14-30(24-29)57-3/h4-9,11-15,17,24,27,32-33,37H,10,16,18-23,25-26H2,1-3H3,(H,43,54)(H,46,52)(H,47,53)(H2,44,45,58)/t32-,33-,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030398 (CHEMBL3344251) Show SMILES COc1ccccc1NC(=S)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C38H51N9O6S2/c1-23(2)32(42-31(49)22-40-38(54)41-26-12-7-8-14-28(26)53-5)35(50)39-21-30(48)43-33(24(3)4)37(52)47-16-10-13-27(47)36(51)46-19-17-45(18-20-46)34-25-11-6-9-15-29(25)55-44-34/h6-9,11-12,14-15,23-24,27,32-33H,10,13,16-22H2,1-5H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,54)/t27-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030401 (CHEMBL3344254) Show SMILES COc1ccc(NC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCN(CC2)c2nsc3ccccc23)cc1 |r| Show InChI InChI=1S/C38H51N9O7S/c1-23(2)32(42-31(49)22-40-38(53)41-25-12-14-26(54-5)15-13-25)35(50)39-21-30(48)43-33(24(3)4)37(52)47-16-8-10-28(47)36(51)46-19-17-45(18-20-46)34-27-9-6-7-11-29(27)55-44-34/h6-7,9,11-15,23-24,28,32-33H,8,10,16-22H2,1-5H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,53)/t28-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030449 (CHEMBL3344290) Show SMILES COc1ccccc1NC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C42H51N9O7S/c1-27(2)37(41(56)51-19-11-16-32(51)40(55)50-22-20-49(21-23-50)38-29-14-7-10-18-34(29)59-48-38)47-36(53)25-43-39(54)31(24-28-12-5-4-6-13-28)45-35(52)26-44-42(57)46-30-15-8-9-17-33(30)58-3/h4-10,12-15,17-18,27,31-32,37H,11,16,19-26H2,1-3H3,(H,43,54)(H,45,52)(H,47,53)(H2,44,46,57)/t31-,32-,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					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	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030397 (CHEMBL3344250) Show SMILES COc1ccccc1NC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C38H51N9O7S/c1-23(2)32(42-31(49)22-40-38(53)41-26-12-7-8-14-28(26)54-5)35(50)39-21-30(48)43-33(24(3)4)37(52)47-16-10-13-27(47)36(51)46-19-17-45(18-20-46)34-25-11-6-9-15-29(25)55-44-34/h6-9,11-12,14-15,23-24,27,32-33H,10,13,16-22H2,1-5H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,53)/t27-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030451 (CHEMBL3344292) Show SMILES COc1cccc(NC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCN(CC2)c2nsc3ccccc23)c1 |r| Show InChI InChI=1S/C42H51N9O7S/c1-27(2)37(41(56)51-18-10-16-33(51)40(55)50-21-19-49(20-22-50)38-31-15-7-8-17-34(31)59-48-38)47-36(53)25-43-39(54)32(23-28-11-5-4-6-12-28)46-35(52)26-44-42(57)45-29-13-9-14-30(24-29)58-3/h4-9,11-15,17,24,27,32-33,37H,10,16,18-23,25-26H2,1-3H3,(H,43,54)(H,46,52)(H,47,53)(H2,44,45,57)/t32-,33-,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030400 (CHEMBL3344253) Show SMILES COc1cccc(NC(=S)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCN(CC2)c2nsc3ccccc23)c1 |r| Show InChI InChI=1S/C38H51N9O6S2/c1-23(2)32(42-31(49)22-40-38(54)41-25-10-8-11-26(20-25)53-5)35(50)39-21-30(48)43-33(24(3)4)37(52)47-15-9-13-28(47)36(51)46-18-16-45(17-19-46)34-27-12-6-7-14-29(27)55-44-34/h6-8,10-12,14,20,23-24,28,32-33H,9,13,15-19,21-22H2,1-5H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,54)/t28-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030399 (CHEMBL3344252) Show SMILES COc1cccc(NC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCN(CC2)c2nsc3ccccc23)c1 |r| Show InChI InChI=1S/C38H51N9O7S/c1-23(2)32(42-31(49)22-40-38(53)41-25-10-8-11-26(20-25)54-5)35(50)39-21-30(48)43-33(24(3)4)37(52)47-15-9-13-28(47)36(51)46-18-16-45(17-19-46)34-27-12-6-7-14-29(27)55-44-34/h6-8,10-12,14,20,23-24,28,32-33H,9,13,15-19,21-22H2,1-5H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,53)/t28-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030447 (CHEMBL3344289) Show SMILES CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=S)Nc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C41H48FN9O5S2/c1-26(2)36(40(56)51-18-8-12-32(51)39(55)50-21-19-49(20-22-50)37-30-11-6-7-13-33(30)58-48-37)47-35(53)24-43-38(54)31(23-27-9-4-3-5-10-27)46-34(52)25-44-41(57)45-29-16-14-28(42)15-17-29/h3-7,9-11,13-17,26,31-32,36H,8,12,18-25H2,1-2H3,(H,43,54)(H,46,52)(H,47,53)(H2,44,45,57)/t31-,32-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030396 (CHEMBL3344249) Show SMILES CC(C)[C@H](NC(=O)CNC(=S)Nc1ccc(F)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C37H48FN9O5S2/c1-22(2)31(42-30(49)21-40-37(53)41-25-13-11-24(38)12-14-25)34(50)39-20-29(48)43-32(23(3)4)36(52)47-15-7-9-27(47)35(51)46-18-16-45(17-19-46)33-26-8-5-6-10-28(26)54-44-33/h5-6,8,10-14,22-23,27,31-32H,7,9,15-21H2,1-4H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,53)/t27-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030428 (CHEMBL3344288) Show SMILES CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)Nc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C41H48FN9O6S/c1-26(2)36(40(56)51-18-8-12-32(51)39(55)50-21-19-49(20-22-50)37-30-11-6-7-13-33(30)58-48-37)47-35(53)24-43-38(54)31(23-27-9-4-3-5-10-27)46-34(52)25-44-41(57)45-29-16-14-28(42)15-17-29/h3-7,9-11,13-17,26,31-32,36H,8,12,18-25H2,1-2H3,(H,43,54)(H,46,52)(H,47,53)(H2,44,45,57)/t31-,32-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030426 (CHEMBL3344259) Show SMILES CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=S)Nc1ccccc1F)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C41H48FN9O5S2/c1-26(2)36(40(56)51-18-10-16-32(51)39(55)50-21-19-49(20-22-50)37-28-13-6-9-17-33(28)58-48-37)47-35(53)24-43-38(54)31(23-27-11-4-3-5-12-27)45-34(52)25-44-41(57)46-30-15-8-7-14-29(30)42/h3-9,11-15,17,26,31-32,36H,10,16,18-25H2,1-2H3,(H,43,54)(H,45,52)(H,47,53)(H2,44,46,57)/t31-,32-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030395 (CHEMBL3344248) Show SMILES CC(C)[C@H](NC(=O)CNC(=O)Nc1ccc(F)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C37H48FN9O6S/c1-22(2)31(42-30(49)21-40-37(53)41-25-13-11-24(38)12-14-25)34(50)39-20-29(48)43-32(23(3)4)36(52)47-15-7-9-27(47)35(51)46-18-16-45(17-19-46)33-26-8-5-6-10-28(26)54-44-33/h5-6,8,10-14,22-23,27,31-32H,7,9,15-21H2,1-4H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,53)/t27-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030393 (CHEMBL3344246) Show SMILES CC(C)[C@H](NC(=O)CNC(=S)Nc1ccccc1F)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C37H48FN9O5S2/c1-22(2)31(42-30(49)21-40-37(53)41-26-12-7-6-11-25(26)38)34(50)39-20-29(48)43-32(23(3)4)36(52)47-15-9-13-27(47)35(51)46-18-16-45(17-19-46)33-24-10-5-8-14-28(24)54-44-33/h5-8,10-12,14,22-23,27,31-32H,9,13,15-21H2,1-4H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,53)/t27-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030403 (CHEMBL3344245) Show SMILES CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)Nc1ccccc1F)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C41H48FN9O6S/c1-26(2)36(40(56)51-18-10-16-32(51)39(55)50-21-19-49(20-22-50)37-28-13-6-9-17-33(28)58-48-37)47-35(53)24-43-38(54)31(23-27-11-4-3-5-12-27)45-34(52)25-44-41(57)46-30-15-8-7-14-29(30)42/h3-9,11-15,17,26,31-32,36H,10,16,18-25H2,1-2H3,(H,43,54)(H,45,52)(H,47,53)(H2,44,46,57)/t31-,32-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030392 (CHEMBL3344258) Show SMILES CC(C)[C@H](NC(=O)CNC(=O)Nc1ccccc1F)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C37H48FN9O6S/c1-22(2)31(42-30(49)21-40-37(53)41-26-12-7-6-11-25(26)38)34(50)39-20-29(48)43-32(23(3)4)36(52)47-15-9-13-27(47)35(51)46-18-16-45(17-19-46)33-24-10-5-8-14-28(24)54-44-33/h5-8,10-12,14,22-23,27,31-32H,9,13,15-21H2,1-4H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,53)/t27-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030427 (CHEMBL3344260) Show SMILES CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)Nc1cccc(F)c1)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C41H48FN9O6S/c1-26(2)36(40(56)51-17-9-15-32(51)39(55)50-20-18-49(19-21-50)37-30-14-6-7-16-33(30)58-48-37)47-35(53)24-43-38(54)31(22-27-10-4-3-5-11-27)46-34(52)25-44-41(57)45-29-13-8-12-28(42)23-29/h3-8,10-14,16,23,26,31-32,36H,9,15,17-22,24-25H2,1-2H3,(H,43,54)(H,46,52)(H,47,53)(H2,44,45,57)/t31-,32-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030394 (CHEMBL3344247) Show SMILES CC(C)[C@H](NC(=O)CNC(=O)Nc1cccc(F)c1)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C37H48FN9O6S/c1-22(2)31(42-30(49)21-40-37(53)41-25-10-7-9-24(38)19-25)34(50)39-20-29(48)43-32(23(3)4)36(52)47-14-8-12-27(47)35(51)46-17-15-45(16-18-46)33-26-11-5-6-13-28(26)54-44-33/h5-7,9-11,13,19,22-23,27,31-32H,8,12,14-18,20-21H2,1-4H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,53)/t27-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030391 (CHEMBL3344257) Show SMILES CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C39H52N8O7S/c1-25(2)33(37(52)47-17-11-15-29(47)36(51)46-20-18-45(19-21-46)34-27-14-9-10-16-30(27)55-44-34)43-32(49)23-40-35(50)28(22-26-12-7-6-8-13-26)42-31(48)24-41-38(53)54-39(3,4)5/h6-10,12-14,16,25,28-29,33H,11,15,17-24H2,1-5H3,(H,40,50)(H,41,53)(H,42,48)(H,43,49)/t28-,29-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.55E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50030390 (CHEMBL3344256) Show SMILES CC(C)[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C35H52N8O7S/c1-21(2)28(38-27(45)20-37-34(49)50-35(5,6)7)31(46)36-19-26(44)39-29(22(3)4)33(48)43-14-10-12-24(43)32(47)42-17-15-41(16-18-42)30-23-11-8-9-13-25(23)51-40-30/h8-9,11,13,21-22,24,28-29H,10,12,14-20H2,1-7H3,(H,36,46)(H,37,49)(H,38,45)(H,39,44)/t24-,28-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.95E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
					More data for this Ligand-Target Pair