Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50002037   

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))	BDBM50452584 (CHEMBL4208211) Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C40H30Cl4N8O2S2/c1-20-2-4-21(5-3-20)36(28-18-45-34-12-6-22(14-26(28)34)37(53)49-51-39(55)47-24-8-10-30(41)32(43)16-24)29-19-46-35-13-7-23(15-27(29)35)38(54)50-52-40(56)48-25-9-11-31(42)33(44)17-25/h2-19,36,45-46H,1H3,(H,49,53)(H,50,54)(H2,47,51,55)(H2,48,52,56)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method				Bioorg Med Chem 26: 152-160 (2018) Article DOI: 10.1016/j.bmc.2017.11.028 BindingDB Entry DOI: 10.7270/Q22N54VJ
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50452571 (CHEMBL4209771) Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(cc1)C(F)(F)F)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C42H32F6N8O2S2/c1-22-2-4-23(5-3-22)36(32-20-49-34-16-6-24(18-30(32)34)37(57)53-55-39(59)51-28-12-8-26(9-13-28)41(43,44)45)33-21-50-35-17-7-25(19-31(33)35)38(58)54-56-40(60)52-29-14-10-27(11-15-29)42(46,47)48/h2-21,36,49-50H,1H3,(H,53,57)(H,54,58)(H2,51,55,59)(H2,52,56,60)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method				Bioorg Med Chem 26: 152-160 (2018) Article DOI: 10.1016/j.bmc.2017.11.028 BindingDB Entry DOI: 10.7270/Q22N54VJ
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50452593 (CHEMBL4202962) Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccccc1F)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccccc1F Show InChI InChI=1S/C40H32F2N8O2S2/c1-22-10-12-23(13-11-22)36(28-20-43-32-16-14-24(18-26(28)32)37(51)47-49-39(53)45-34-8-4-2-6-30(34)41)29-21-44-33-17-15-25(19-27(29)33)38(52)48-50-40(54)46-35-9-5-3-7-31(35)42/h2-21,36,43-44H,1H3,(H,47,51)(H,48,52)(H2,45,49,53)(H2,46,50,54)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method				Bioorg Med Chem 26: 152-160 (2018) Article DOI: 10.1016/j.bmc.2017.11.028 BindingDB Entry DOI: 10.7270/Q22N54VJ
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50452582 (CHEMBL4214144) Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1cccc(F)c1)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1cccc(F)c1 Show InChI InChI=1S/C40H32F2N8O2S2/c1-22-8-10-23(11-9-22)36(32-20-43-34-14-12-24(16-30(32)34)37(51)47-49-39(53)45-28-6-2-4-26(41)18-28)33-21-44-35-15-13-25(17-31(33)35)38(52)48-50-40(54)46-29-7-3-5-27(42)19-29/h2-21,36,43-44H,1H3,(H,47,51)(H,48,52)(H2,45,49,53)(H2,46,50,54)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method				Bioorg Med Chem 26: 152-160 (2018) Article DOI: 10.1016/j.bmc.2017.11.028 BindingDB Entry DOI: 10.7270/Q22N54VJ
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50452583 (CHEMBL4202456) Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(F)cc1)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(F)cc1 Show InChI InChI=1S/C40H32F2N8O2S2/c1-22-2-4-23(5-3-22)36(32-20-43-34-16-6-24(18-30(32)34)37(51)47-49-39(53)45-28-12-8-26(41)9-13-28)33-21-44-35-17-7-25(19-31(33)35)38(52)48-50-40(54)46-29-14-10-27(42)11-15-29/h2-21,36,43-44H,1H3,(H,47,51)(H,48,52)(H2,45,49,53)(H2,46,50,54)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method				Bioorg Med Chem 26: 152-160 (2018) Article DOI: 10.1016/j.bmc.2017.11.028 BindingDB Entry DOI: 10.7270/Q22N54VJ
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50452594 (CHEMBL4216656) Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccccc1Cl)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccccc1Cl Show InChI InChI=1S/C40H32Cl2N8O2S2/c1-22-10-12-23(13-11-22)36(28-20-43-32-16-14-24(18-26(28)32)37(51)47-49-39(53)45-34-8-4-2-6-30(34)41)29-21-44-33-17-15-25(19-27(29)33)38(52)48-50-40(54)46-35-9-5-3-7-31(35)42/h2-21,36,43-44H,1H3,(H,47,51)(H,48,52)(H2,45,49,53)(H2,46,50,54)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method				Bioorg Med Chem 26: 152-160 (2018) Article DOI: 10.1016/j.bmc.2017.11.028 BindingDB Entry DOI: 10.7270/Q22N54VJ
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50452580 (CHEMBL4205363) Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(Br)cc1)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(Br)cc1 Show InChI InChI=1S/C40H32Br2N8O2S2/c1-22-2-4-23(5-3-22)36(32-20-43-34-16-6-24(18-30(32)34)37(51)47-49-39(53)45-28-12-8-26(41)9-13-28)33-21-44-35-17-7-25(19-31(33)35)38(52)48-50-40(54)46-29-14-10-27(42)11-15-29/h2-21,36,43-44H,1H3,(H,47,51)(H,48,52)(H2,45,49,53)(H2,46,50,54)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method				Bioorg Med Chem 26: 152-160 (2018) Article DOI: 10.1016/j.bmc.2017.11.028 BindingDB Entry DOI: 10.7270/Q22N54VJ
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50452579 (CHEMBL4210263) Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1cccc(Br)c1)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1cccc(Br)c1 Show InChI InChI=1S/C40H32Br2N8O2S2/c1-22-8-10-23(11-9-22)36(32-20-43-34-14-12-24(16-30(32)34)37(51)47-49-39(53)45-28-6-2-4-26(41)18-28)33-21-44-35-15-13-25(17-31(33)35)38(52)48-50-40(54)46-29-7-3-5-27(42)19-29/h2-21,36,43-44H,1H3,(H,47,51)(H,48,52)(H2,45,49,53)(H2,46,50,54)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method				Bioorg Med Chem 26: 152-160 (2018) Article DOI: 10.1016/j.bmc.2017.11.028 BindingDB Entry DOI: 10.7270/Q22N54VJ
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50452597 (CHEMBL4213332) Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccccc1Br)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccccc1Br Show InChI InChI=1S/C40H32Br2N8O2S2/c1-22-10-12-23(13-11-22)36(28-20-43-32-16-14-24(18-26(28)32)37(51)47-49-39(53)45-34-8-4-2-6-30(34)41)29-21-44-33-17-15-25(19-27(29)33)38(52)48-50-40(54)46-35-9-5-3-7-31(35)42/h2-21,36,43-44H,1H3,(H,47,51)(H,48,52)(H2,45,49,53)(H2,46,50,54)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method				Bioorg Med Chem 26: 152-160 (2018) Article DOI: 10.1016/j.bmc.2017.11.028 BindingDB Entry DOI: 10.7270/Q22N54VJ
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50452592 (CHEMBL4217720) Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(Cl)cc1)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C40H32Cl2N8O2S2/c1-22-2-4-23(5-3-22)36(32-20-43-34-16-6-24(18-30(32)34)37(51)47-49-39(53)45-28-12-8-26(41)9-13-28)33-21-44-35-17-7-25(19-31(33)35)38(52)48-50-40(54)46-29-14-10-27(42)11-15-29/h2-21,36,43-44H,1H3,(H,47,51)(H,48,52)(H2,45,49,53)(H2,46,50,54)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method				Bioorg Med Chem 26: 152-160 (2018) Article DOI: 10.1016/j.bmc.2017.11.028 BindingDB Entry DOI: 10.7270/Q22N54VJ
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50452595 (CHEMBL4203333) Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccccc1C)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccccc1C Show InChI InChI=1S/C42H38N8O2S2/c1-24-12-14-27(15-13-24)38(32-22-43-36-18-16-28(20-30(32)36)39(51)47-49-41(53)45-34-10-6-4-8-25(34)2)33-23-44-37-19-17-29(21-31(33)37)40(52)48-50-42(54)46-35-11-7-5-9-26(35)3/h4-23,38,43-44H,1-3H3,(H,47,51)(H,48,52)(H2,45,49,53)(H2,46,50,54)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method				Bioorg Med Chem 26: 152-160 (2018) Article DOI: 10.1016/j.bmc.2017.11.028 BindingDB Entry DOI: 10.7270/Q22N54VJ
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50452586 (CHEMBL4214719) Show SMILES Cc1ccc(NC(=S)NNC(=O)c2ccc3[nH]cc(C(c4c[nH]c5ccc(cc45)C(=O)NNC(=S)Nc4ccc(C)cc4)c4ccc(C)cc4)c3c2)cc1 Show InChI InChI=1S/C42H38N8O2S2/c1-24-4-10-27(11-5-24)38(34-22-43-36-18-12-28(20-32(34)36)39(51)47-49-41(53)45-30-14-6-25(2)7-15-30)35-23-44-37-19-13-29(21-33(35)37)40(52)48-50-42(54)46-31-16-8-26(3)9-17-31/h4-23,38,43-44H,1-3H3,(H,47,51)(H,48,52)(H2,45,49,53)(H2,46,50,54)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method				Bioorg Med Chem 26: 152-160 (2018) Article DOI: 10.1016/j.bmc.2017.11.028 BindingDB Entry DOI: 10.7270/Q22N54VJ
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50452585 (CHEMBL4218470) Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1cccc(C)c1)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1cccc(C)c1 Show InChI InChI=1S/C42H38N8O2S2/c1-24-10-12-27(13-11-24)38(34-22-43-36-16-14-28(20-32(34)36)39(51)47-49-41(53)45-30-8-4-6-25(2)18-30)35-23-44-37-17-15-29(21-33(35)37)40(52)48-50-42(54)46-31-9-5-7-26(3)19-31/h4-23,38,43-44H,1-3H3,(H,47,51)(H,48,52)(H2,45,49,53)(H2,46,50,54)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method				Bioorg Med Chem 26: 152-160 (2018) Article DOI: 10.1016/j.bmc.2017.11.028 BindingDB Entry DOI: 10.7270/Q22N54VJ
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50452581 (CHEMBL4208151) Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1cccc(c1)[N+]([O-])=O)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C40H32N10O6S2/c1-22-8-10-23(11-9-22)36(32-20-41-34-14-12-24(16-30(32)34)37(51)45-47-39(57)43-26-4-2-6-28(18-26)49(53)54)33-21-42-35-15-13-25(17-31(33)35)38(52)46-48-40(58)44-27-5-3-7-29(19-27)50(55)56/h2-21,36,41-42H,1H3,(H,45,51)(H,46,52)(H2,43,47,57)(H2,44,48,58)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method				Bioorg Med Chem 26: 152-160 (2018) Article DOI: 10.1016/j.bmc.2017.11.028 BindingDB Entry DOI: 10.7270/Q22N54VJ
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50452587 (CHEMBL4216067) Show SMILES COc1ccccc1NC(=S)NNC(=O)c1ccc2[nH]cc(C(c3c[nH]c4ccc(cc34)C(=O)NNC(=S)Nc3ccccc3OC)c3ccc(C)cc3)c2c1 Show InChI InChI=1S/C42H38N8O4S2/c1-24-12-14-25(15-13-24)38(30-22-43-32-18-16-26(20-28(30)32)39(51)47-49-41(55)45-34-8-4-6-10-36(34)53-2)31-23-44-33-19-17-27(21-29(31)33)40(52)48-50-42(56)46-35-9-5-7-11-37(35)54-3/h4-23,38,43-44H,1-3H3,(H,47,51)(H,48,52)(H2,45,49,55)(H2,46,50,56)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method				Bioorg Med Chem 26: 152-160 (2018) Article DOI: 10.1016/j.bmc.2017.11.028 BindingDB Entry DOI: 10.7270/Q22N54VJ
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50452591 (CHEMBL4214615) Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(cc1)[N+]([O-])=O)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C40H32N10O6S2/c1-22-2-4-23(5-3-22)36(32-20-41-34-16-6-24(18-30(32)34)37(51)45-47-39(57)43-26-8-12-28(13-9-26)49(53)54)33-21-42-35-17-7-25(19-31(33)35)38(52)46-48-40(58)44-27-10-14-29(15-11-27)50(55)56/h2-21,36,41-42H,1H3,(H,45,51)(H,46,52)(H2,43,47,57)(H2,44,48,58)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method				Bioorg Med Chem 26: 152-160 (2018) Article DOI: 10.1016/j.bmc.2017.11.028 BindingDB Entry DOI: 10.7270/Q22N54VJ
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50452596 (CHEMBL4211100) Show SMILES COc1cccc(NC(=S)NNC(=O)c2ccc3[nH]cc(C(c4c[nH]c5ccc(cc45)C(=O)NNC(=S)Nc4cccc(OC)c4)c4ccc(C)cc4)c3c2)c1 Show InChI InChI=1S/C42H38N8O4S2/c1-24-10-12-25(13-11-24)38(34-22-43-36-16-14-26(18-32(34)36)39(51)47-49-41(55)45-28-6-4-8-30(20-28)53-2)35-23-44-37-17-15-27(19-33(35)37)40(52)48-50-42(56)46-29-7-5-9-31(21-29)54-3/h4-23,38,43-44H,1-3H3,(H,47,51)(H,48,52)(H2,45,49,55)(H2,46,50,56)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method				Bioorg Med Chem 26: 152-160 (2018) Article DOI: 10.1016/j.bmc.2017.11.028 BindingDB Entry DOI: 10.7270/Q22N54VJ
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50452572 (CHEMBL4204156) Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)NC12CC3CC(CC(C3)C1)C2)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)NC12CC3CC(CC(C3)C1)C2 |THB:32:30:27:33.24.25,32:24:27:31.29.30,55:54:51:57.56.58,55:56:53.54.59:51,58:56:53:59.50.51,58:50:53:57.55.56,29:28:25:31.30.32,29:30:27.28.33:25| Show InChI InChI=1S/C48H54N8O2S2/c1-26-2-4-33(5-3-26)42(38-24-49-40-8-6-34(16-36(38)40)43(57)53-55-45(59)51-47-18-27-10-28(19-47)12-29(11-27)20-47)39-25-50-41-9-7-35(17-37(39)41)44(58)54-56-46(60)52-48-21-30-13-31(22-48)15-32(14-30)23-48/h2-9,16-17,24-25,27-32,42,49-50H,10-15,18-23H2,1H3,(H,53,57)(H,54,58)(H2,51,55,59)(H2,52,56,60)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method				Bioorg Med Chem 26: 152-160 (2018) Article DOI: 10.1016/j.bmc.2017.11.028 BindingDB Entry DOI: 10.7270/Q22N54VJ
					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	2.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method				Bioorg Med Chem 26: 152-160 (2018) Article DOI: 10.1016/j.bmc.2017.11.028 BindingDB Entry DOI: 10.7270/Q22N54VJ
					More data for this Ligand-Target Pair