Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50005197   

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))	BDBM50488912 (CHEMBL2298033) Show SMILES NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C14H12ClN3O3S2/c15-10-3-1-9(2-4-10)13(19)18-14(22)17-11-5-7-12(8-6-11)23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Canavalia ensiformis (jack bean) urease assessed as release of ammonia after 30 min by indophenol method				Citation and Details Article DOI: 10.1007/s00044-012-0376-4 BindingDB Entry DOI: 10.7270/Q2P84FT7
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50488911 (CHEMBL2298025) Show SMILES NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)cc1 Show InChI InChI=1S/C14H11ClN4O5S2/c15-12-6-3-9(19(21)22)7-11(12)13(20)18-14(25)17-8-1-4-10(5-2-8)26(16,23)24/h1-7H,(H2,16,23,24)(H2,17,18,20,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Canavalia ensiformis (jack bean) urease assessed as release of ammonia after 30 min by indophenol method				Citation and Details Article DOI: 10.1007/s00044-012-0376-4 BindingDB Entry DOI: 10.7270/Q2P84FT7
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50488920 (CHEMBL2298019) Show SMILES NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccc(c2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C14H12N4O5S2/c15-25(22,23)12-6-4-10(5-7-12)16-14(24)17-13(19)9-2-1-3-11(8-9)18(20)21/h1-8H,(H2,15,22,23)(H2,16,17,19,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Canavalia ensiformis (jack bean) urease assessed as release of ammonia after 30 min by indophenol method				Citation and Details Article DOI: 10.1007/s00044-012-0376-4 BindingDB Entry DOI: 10.7270/Q2P84FT7
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50488905 (CHEMBL2298023) Show SMILES COc1cccc(c1)C(=O)NC(=S)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H15N3O4S2/c1-22-12-4-2-3-10(9-12)14(19)18-15(23)17-11-5-7-13(8-6-11)24(16,20)21/h2-9H,1H3,(H2,16,20,21)(H2,17,18,19,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Canavalia ensiformis (jack bean) urease assessed as release of ammonia after 30 min by indophenol method				Citation and Details Article DOI: 10.1007/s00044-012-0376-4 BindingDB Entry DOI: 10.7270/Q2P84FT7
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50488918 (CHEMBL2298024) Show SMILES COc1cccc(C(=O)NC(=S)Nc2ccc(cc2)S(N)(=O)=O)c1OC Show InChI InChI=1S/C16H17N3O5S2/c1-23-13-5-3-4-12(14(13)24-2)15(20)19-16(25)18-10-6-8-11(9-7-10)26(17,21)22/h3-9H,1-2H3,(H2,17,21,22)(H2,18,19,20,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Canavalia ensiformis (jack bean) urease assessed as release of ammonia after 30 min by indophenol method				Citation and Details Article DOI: 10.1007/s00044-012-0376-4 BindingDB Entry DOI: 10.7270/Q2P84FT7
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50488919 (CHEMBL2298022) Show SMILES Cc1cccc(c1)C(=O)NC(=S)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H15N3O3S2/c1-10-3-2-4-11(9-10)14(19)18-15(22)17-12-5-7-13(8-6-12)23(16,20)21/h2-9H,1H3,(H2,16,20,21)(H2,17,18,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Canavalia ensiformis (jack bean) urease assessed as release of ammonia after 30 min by indophenol method				Citation and Details Article DOI: 10.1007/s00044-012-0376-4 BindingDB Entry DOI: 10.7270/Q2P84FT7
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50488914 (CHEMBL1370012) Show SMILES NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1 Show InChI InChI=1S/C12H11N3O4S2/c13-21(17,18)9-5-3-8(4-6-9)14-12(20)15-11(16)10-2-1-7-19-10/h1-7H,(H2,13,17,18)(H2,14,15,16,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Canavalia ensiformis (jack bean) urease assessed as release of ammonia after 30 min by indophenol method				Citation and Details Article DOI: 10.1007/s00044-012-0376-4 BindingDB Entry DOI: 10.7270/Q2P84FT7
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50488915 (CHEMBL2298030) Show SMILES COc1cc(OC)cc(c1)C(=O)NC(=S)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H17N3O5S2/c1-23-12-7-10(8-13(9-12)24-2)15(20)19-16(25)18-11-3-5-14(6-4-11)26(17,21)22/h3-9H,1-2H3,(H2,17,21,22)(H2,18,19,20,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Canavalia ensiformis (jack bean) urease assessed as release of ammonia after 30 min by indophenol method				Citation and Details Article DOI: 10.1007/s00044-012-0376-4 BindingDB Entry DOI: 10.7270/Q2P84FT7
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50488923 (CHEMBL2298031) Show SMILES CCC(CC(=O)NC(=S)Nc1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C18H21N3O3S2/c1-2-13(14-6-4-3-5-7-14)12-17(22)21-18(25)20-15-8-10-16(11-9-15)26(19,23)24/h3-11,13H,2,12H2,1H3,(H2,19,23,24)(H2,20,21,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Canavalia ensiformis (jack bean) urease assessed as release of ammonia after 30 min by indophenol method				Citation and Details Article DOI: 10.1007/s00044-012-0376-4 BindingDB Entry DOI: 10.7270/Q2P84FT7
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50488910 (CHEMBL2298029) Show SMILES CCCCCCCCCCCC(=O)NC(=S)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H31N3O3S2/c1-2-3-4-5-6-7-8-9-10-11-18(23)22-19(26)21-16-12-14-17(15-13-16)27(20,24)25/h12-15H,2-11H2,1H3,(H2,20,24,25)(H2,21,22,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Canavalia ensiformis (jack bean) urease assessed as release of ammonia after 30 min by indophenol method				Citation and Details Article DOI: 10.1007/s00044-012-0376-4 BindingDB Entry DOI: 10.7270/Q2P84FT7
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50488922 (CHEMBL2298032) Show SMILES NS(=O)(=O)c1ccc(NC(=S)NC=O)cc1 Show InChI InChI=1S/C8H9N3O3S2/c9-16(13,14)7-3-1-6(2-4-7)11-8(15)10-5-12/h1-5H,(H2,9,13,14)(H2,10,11,12,15)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Canavalia ensiformis (jack bean) urease assessed as release of ammonia after 30 min by indophenol method				Citation and Details Article DOI: 10.1007/s00044-012-0376-4 BindingDB Entry DOI: 10.7270/Q2P84FT7
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50488908 (CHEMBL2298027) Show SMILES COc1ccc(C(=O)NC(=S)Nc2ccc(cc2)S(N)(=O)=O)c(OC)c1OC Show InChI InChI=1S/C17H19N3O6S2/c1-24-13-9-8-12(14(25-2)15(13)26-3)16(21)20-17(27)19-10-4-6-11(7-5-10)28(18,22)23/h4-9H,1-3H3,(H2,18,22,23)(H2,19,20,21,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Canavalia ensiformis (jack bean) urease assessed as release of ammonia after 30 min by indophenol method				Citation and Details Article DOI: 10.1007/s00044-012-0376-4 BindingDB Entry DOI: 10.7270/Q2P84FT7
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50488917 (CHEMBL2298026) Show SMILES NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccc(F)c2)cc1 Show InChI InChI=1S/C14H12FN3O3S2/c15-10-3-1-2-9(8-10)13(19)18-14(22)17-11-4-6-12(7-5-11)23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Canavalia ensiformis (jack bean) urease assessed as release of ammonia after 30 min by indophenol method				Citation and Details Article DOI: 10.1007/s00044-012-0376-4 BindingDB Entry DOI: 10.7270/Q2P84FT7
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50488909 (CHEMBL2298036) Show SMILES NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C14H12ClN3O3S2/c15-10-3-1-2-9(8-10)13(19)18-14(22)17-11-4-6-12(7-5-11)23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Canavalia ensiformis (jack bean) urease assessed as release of ammonia after 30 min by indophenol method				Citation and Details Article DOI: 10.1007/s00044-012-0376-4 BindingDB Entry DOI: 10.7270/Q2P84FT7
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50488906 (CHEMBL2298020) Show SMILES NS(=O)(=O)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C15H15N3O3S2/c16-23(20,21)13-8-6-12(7-9-13)17-15(22)18-14(19)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,16,20,21)(H2,17,18,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Canavalia ensiformis (jack bean) urease assessed as release of ammonia after 30 min by indophenol method				Citation and Details Article DOI: 10.1007/s00044-012-0376-4 BindingDB Entry DOI: 10.7270/Q2P84FT7
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50488913 (CHEMBL179559) Show SMILES NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C14H11Cl2N3O3S2/c15-8-1-6-11(12(16)7-8)13(20)19-14(23)18-9-2-4-10(5-3-9)24(17,21)22/h1-7H,(H2,17,21,22)(H2,18,19,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Canavalia ensiformis (jack bean) urease assessed as release of ammonia after 30 min by indophenol method				Citation and Details Article DOI: 10.1007/s00044-012-0376-4 BindingDB Entry DOI: 10.7270/Q2P84FT7
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50488907 (CHEMBL2298034) Show SMILES Cc1ccc(cc1)C(=O)NC(=S)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H15N3O3S2/c1-10-2-4-11(5-3-10)14(19)18-15(22)17-12-6-8-13(9-7-12)23(16,20)21/h2-9H,1H3,(H2,16,20,21)(H2,17,18,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	4.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Canavalia ensiformis (jack bean) urease assessed as release of ammonia after 30 min by indophenol method				Citation and Details Article DOI: 10.1007/s00044-012-0376-4 BindingDB Entry DOI: 10.7270/Q2P84FT7
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50488916 (CHEMBL2298028) Show SMILES NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2[N+]([O-])=O)cc1 Show InChI InChI=1S/C14H11ClN4O5S2/c15-8-1-6-11(12(7-8)19(21)22)13(20)18-14(25)17-9-2-4-10(5-3-9)26(16,23)24/h1-7H,(H2,16,23,24)(H2,17,18,20,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	5.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Canavalia ensiformis (jack bean) urease assessed as release of ammonia after 30 min by indophenol method				Citation and Details Article DOI: 10.1007/s00044-012-0376-4 BindingDB Entry DOI: 10.7270/Q2P84FT7
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50488921 (CHEMBL2298035) Show SMILES NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C14H12N4O5S2/c15-25(22,23)12-7-3-10(4-8-12)16-14(24)17-13(19)9-1-5-11(6-2-9)18(20)21/h1-8H,(H2,15,22,23)(H2,16,17,19,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Canavalia ensiformis (jack bean) urease assessed as release of ammonia after 30 min by indophenol method				Citation and Details Article DOI: 10.1007/s00044-012-0376-4 BindingDB Entry DOI: 10.7270/Q2P84FT7
					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	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Canavalia ensiformis (jack bean) urease assessed as release of ammonia after 30 min by indophenol method				Citation and Details Article DOI: 10.1007/s00044-012-0376-4 BindingDB Entry DOI: 10.7270/Q2P84FT7
					More data for this Ligand-Target Pair