Compile Data Set for Download or QSAR

Found 11 hits for UniProtKB: P41022   

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 subunit alpha/beta/gamma (Bacillus pasteurii)	BDBM24969 ([(2-{[(benzyloxy)carbonyl]amino}acetamido)methyl](...) Show SMILES CP(O)(=S)CNC(=O)CNC(=O)OCc1ccccc1 Show InChI InChI=1S/C12H17N2O4PS/c1-19(17,20)9-14-11(15)7-13-12(16)18-8-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,16)(H,14,15)(H,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	-39.3	1.80E+3	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha/beta/gamma (Bacillus pasteurii)	BDBM24971 (({[(benzyloxy)carbonyl]amino}methyl)(methyl)sulfan...) Show SMILES CP(O)(=S)CNC(=O)OCc1ccccc1 Show InChI InChI=1S/C10H14NO3PS/c1-15(13,16)8-11-10(12)14-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)(H,13,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.75E+4	-27.6	1.12E+5	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha/beta/gamma (Bacillus pasteurii)	BDBM24967 (methyl[(methylamino)methyl]phosphinic acid | organ...) Show SMILES CN=CP(C)(O)O |w:1.0| Show InChI InChI=1S/C3H10NO2P/c1-4-3-7(2,5)6/h3,5-7H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+4	-27.5	6.00E+4	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha/beta/gamma (Bacillus pasteurii)	BDBM24962 ([(2-aminoacetamido)methyl](methyl)phosphinic acid ...) Show SMILES CP(O)(=O)CNC(=O)CN Show InChI InChI=1S/C4H11N2O3P/c1-10(8,9)3-6-4(7)2-5/h2-3,5H2,1H3,(H,6,7)(H,8,9)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10E+4	-27.1	6.00E+4	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha/beta/gamma (Bacillus pasteurii)	BDBM24965 (organophosphorus derivative, 6 | {[(2S)-2-amino-3-...) Show SMILES CP(O)(=O)CNC(=O)[C@@H](N)COCc1ccccc1 |r| Show InChI InChI=1S/C12H19N2O4P/c1-19(16,17)9-14-12(15)11(13)8-18-7-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3,(H,14,15)(H,16,17)/t11-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.50E+4	-26.7	8.00E+4	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha/beta/gamma (Bacillus pasteurii)	BDBM24966 (organophosphorus derivative, 7 | {[(2S)-2-amino-3-...) Show SMILES CP(O)(=O)CNC(=O)[C@@H](N)CO |r| Show InChI InChI=1S/C5H13N2O4P/c1-12(10,11)3-7-5(9)4(6)2-8/h4,8H,2-3,6H2,1H3,(H,7,9)(H,10,11)/t4-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70E+4	-25.7	1.50E+5	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha/beta/gamma (Bacillus pasteurii)	BDBM24968 (({[(benzyloxy)carbonyl]amino}methyl)(methyl)phosph...) Show SMILES CP(O)(=O)CNC(=O)OCc1ccccc1 Show InChI InChI=1S/C10H14NO4P/c1-16(13,14)8-11-10(12)15-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)(H,13,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	4.30E+4	-25.3	1.23E+5	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha/beta/gamma (Bacillus pasteurii)	BDBM24963 (organophosphorus derivative, 4 | {[(2S)-2-amino-3-...) Show SMILES CC(C)[C@H](N)C(=O)NCP(C)(O)=O |r| Show InChI InChI=1S/C7H17N2O3P/c1-5(2)6(8)7(10)9-4-13(3,11)12/h5-6H,4,8H2,1-3H3,(H,9,10)(H,11,12)/t6-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+5	-22.8	4.85E+5	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha/beta/gamma (Bacillus pasteurii)	BDBM24970 ([(2-{[(benzyloxy)carbonyl]amino}acetamido)methyl](...) Show SMILES CP(O)(=O)CNC(=O)CNC(=O)OCc1ccccc1 Show InChI InChI=1S/C12H17N2O5P/c1-20(17,18)9-14-11(15)7-13-12(16)19-8-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,16)(H,14,15)(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.35E+5	-22.5	4.50E+5	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha/beta/gamma (Bacillus pasteurii)	BDBM24964 (organophosphorus derivative, 5 | {[(2S)-2-amino-3-...) Show SMILES CP(O)(=O)CNC(=O)[C@@H](N)Cc1ccccc1 |r| Show InChI InChI=1S/C11H17N2O3P/c1-17(15,16)8-13-11(14)10(12)7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.15E+5	-21.3	6.00E+5	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair
Urease subunit alpha/beta/gamma (Bacillus pasteurii)	BDBM24960 ((aminomethyl)(methyl)phosphinic acid | organophosp...) Show SMILES CP(O)(O)C=N Show InChI InChI=1S/C2H8NO2P/c1-6(4,5)2-3/h2-6H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	3.40E+5	-20.1	1.10E+6	n/a	n/a	n/a	n/a	7.0	30
Wroclaw University of Technology					Assay Description Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...				J Med Chem 51: 5736-44 (2008) Article DOI: 10.1021/jm800570q BindingDB Entry DOI: 10.7270/Q2PR7T91
					More data for this Ligand-Target Pair