Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50021307   

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))	BDBM50223161 (1-cyclohexyl-1-isopropyl-3,3-dimethylselenourea | ...) Show SMILES CC(C)N(C1CCCCC1)C(=[Se])N(C)C Show InChI InChI=1S/C12H24N2Se/c1-10(2)14(12(15)13(3)4)11-8-6-5-7-9-11/h10-11H,5-9H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition of jack bean urease				Bioorg Med Chem Lett 17: 6387-91 (2007) Article DOI: 10.1016/j.bmcl.2007.07.085 BindingDB Entry DOI: 10.7270/Q2SJ1KB5
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50223158 ((S)-1,1-dimethyl-3-(1-(naphthalen-1-yl)ethyl)selen...) Show SMILES C[C@H](NC(=[Se])N(C)C)c1cccc2ccccc12 Show InChI InChI=1S/C15H18N2Se/c1-11(16-15(18)17(2)3)13-10-6-8-12-7-4-5-9-14(12)13/h4-11H,1-3H3,(H,16,18)/t11-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition of jack bean urease				Bioorg Med Chem Lett 17: 6387-91 (2007) Article DOI: 10.1016/j.bmcl.2007.07.085 BindingDB Entry DOI: 10.7270/Q2SJ1KB5
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50223159 (3-dodecyl-1,1-dimethylthiourea | CHEMBL251521) Show SMILES CCCCCCCCCCCCNC(=S)N(C)C Show InChI InChI=1S/C15H32N2S/c1-4-5-6-7-8-9-10-11-12-13-14-16-15(18)17(2)3/h4-14H2,1-3H3,(H,16,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition of jack bean urease				Bioorg Med Chem Lett 17: 6387-91 (2007) Article DOI: 10.1016/j.bmcl.2007.07.085 BindingDB Entry DOI: 10.7270/Q2SJ1KB5
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50223157 (3-(4-bromobenzyl)-1,1-dimethylselenourea | CHEMBL3...) Show SMILES CN(C)C(=[Se])NCc1ccc(Br)cc1 Show InChI InChI=1S/C10H13BrN2Se/c1-13(2)10(14)12-7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3,(H,12,14)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition of jack bean urease				Bioorg Med Chem Lett 17: 6387-91 (2007) Article DOI: 10.1016/j.bmcl.2007.07.085 BindingDB Entry DOI: 10.7270/Q2SJ1KB5
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50223160 (3-(4-bromophenyl)-1,1-dimethylthiourea | CHEMBL249...) Show SMILES CN(C)C(=S)Nc1ccc(Br)cc1 Show InChI InChI=1S/C9H11BrN2S/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	255	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition of jack bean urease				Bioorg Med Chem Lett 17: 6387-91 (2007) Article DOI: 10.1016/j.bmcl.2007.07.085 BindingDB Entry DOI: 10.7270/Q2SJ1KB5
					More data for this Ligand-Target Pair