Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'dCTP deaminase' AND taxid = 192222   

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
dCTP deaminase (Campylobacter jejuni)	BDBM91592 (dUTPase inhibitor, 3) Show SMILES O=C(OCC1OC(C=C1)n1ccc(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2 |c:7,TLB:20:21:19.24.18:25,24:19:26:23.25.22,24:23:26:20.19.18,THB:20:19:25:26.21.22| Show InChI InChI=1S/C20H24N2O5/c23-16-3-4-22(19(25)21-16)17-2-1-15(27-17)11-26-18(24)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-15,17H,5-11H2,(H,21,23,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.47E+5	-18.6	n/a	n/a	n/a	n/a	n/a	8.0	25
Instituto de Parastiologia y Biomedicina "Lopez-Neyra"					Assay Description Nucleotide hydrolysis was monitored by mixing enzyme and substrate with a rapid kinetic accessory (Hi-Tech Scientific) attached to a spectrophotomete...				J Enzyme Inhib Med Chem 24: 111-6 (2009) Article DOI: 10.1080/14756360801915476 BindingDB Entry DOI: 10.7270/Q2JH3JST
					More data for this Ligand-Target Pair
dCTP deaminase (Campylobacter jejuni)	BDBM50173548 (CHEMBL373232 | Phosphoric acid 5-(2,4-dioxo-3,4-di...) Show SMILES OC1CC(OC1COP(=O)(Oc1ccccc1)Oc1ccccc1)n1ccc(=O)[nH]c1=O Show InChI InChI=1S/C21H21N2O8P/c24-17-13-20(23-12-11-19(25)22-21(23)26)29-18(17)14-28-32(27,30-15-7-3-1-4-8-15)31-16-9-5-2-6-10-16/h1-12,17-18,20,24H,13-14H2,(H,22,25,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.00E+6	-17.1	n/a	n/a	n/a	n/a	n/a	8.0	25
Instituto de Parastiologia y Biomedicina "Lopez-Neyra"					Assay Description Nucleotide hydrolysis was monitored by mixing enzyme and substrate with a rapid kinetic accessory (Hi-Tech Scientific) attached to a spectrophotomete...				J Enzyme Inhib Med Chem 24: 111-6 (2009) Article DOI: 10.1080/14756360801915476 BindingDB Entry DOI: 10.7270/Q2JH3JST
					More data for this Ligand-Target Pair
dCTP deaminase (Campylobacter jejuni)	BDBM50173546 (1-(5-Trityloxymethyl-2,5-dihydro-furan-2-yl)-1H-py...) Show SMILES O=c1ccn(C2OC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)C=C2)c(=O)[nH]1 |c:32| Show InChI InChI=1S/C28H24N2O4/c31-25-18-19-30(27(32)29-25)26-17-16-24(34-26)20-33-28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,24,26H,20H2,(H,29,31,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+6	-17.1	n/a	n/a	n/a	n/a	n/a	8.0	25
Instituto de Parastiologia y Biomedicina "Lopez-Neyra"					Assay Description Nucleotide hydrolysis was monitored by mixing enzyme and substrate with a rapid kinetic accessory (Hi-Tech Scientific) attached to a spectrophotomete...				J Enzyme Inhib Med Chem 24: 111-6 (2009) Article DOI: 10.1080/14756360801915476 BindingDB Entry DOI: 10.7270/Q2JH3JST
					More data for this Ligand-Target Pair
dCTP deaminase (Campylobacter jejuni)	BDBM50173532 (1-[5-(tert-Butyl-diphenyl-silanyloxymethyl)-4-fluo...) Show SMILES CC(C)(C)[Si](OCC1OC(CC1F)n1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H29FN2O4Si/c1-25(2,3)33(18-10-6-4-7-11-18,19-12-8-5-9-13-19)31-17-21-20(26)16-23(32-21)28-15-14-22(29)27-24(28)30/h4-15,20-21,23H,16-17H2,1-3H3,(H,27,29,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+9	0	n/a	n/a	n/a	n/a	n/a	8.0	25
Instituto de Parastiologia y Biomedicina "Lopez-Neyra"					Assay Description Nucleotide hydrolysis was monitored by mixing enzyme and substrate with a rapid kinetic accessory (Hi-Tech Scientific) attached to a spectrophotomete...				J Enzyme Inhib Med Chem 24: 111-6 (2009) Article DOI: 10.1080/14756360801915476 BindingDB Entry DOI: 10.7270/Q2JH3JST
					More data for this Ligand-Target Pair
dCTP deaminase (Campylobacter jejuni)	BDBM50173531 (1-(4-Hydroxy-5-triphenylsilanyloxymethyl-tetrahydr...) Show SMILES OC1CC(OC1CO[Si](c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O Show InChI InChI=1S/C27H26N2O5Si/c30-23-18-26(29-17-16-25(31)28-27(29)32)34-24(23)19-33-35(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,30H,18-19H2,(H,28,31,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+9	0	n/a	n/a	n/a	n/a	n/a	8.0	25
Instituto de Parastiologia y Biomedicina "Lopez-Neyra"					Assay Description Nucleotide hydrolysis was monitored by mixing enzyme and substrate with a rapid kinetic accessory (Hi-Tech Scientific) attached to a spectrophotomete...				J Enzyme Inhib Med Chem 24: 111-6 (2009) Article DOI: 10.1080/14756360801915476 BindingDB Entry DOI: 10.7270/Q2JH3JST
					More data for this Ligand-Target Pair
dCTP deaminase (Campylobacter jejuni)	BDBM50173530 (1-[5-(tert-Butyl-diphenyl-silanyloxymethyl)-4-hydr...) Show SMILES CC(C)(C)[Si](OCC1OC(CC1O)n1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H30N2O5Si/c1-25(2,3)33(18-10-6-4-7-11-18,19-12-8-5-9-13-19)31-17-21-20(28)16-23(32-21)27-15-14-22(29)26-24(27)30/h4-15,20-21,23,28H,16-17H2,1-3H3,(H,26,29,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+9	0	n/a	n/a	n/a	n/a	n/a	8.0	25
Instituto de Parastiologia y Biomedicina "Lopez-Neyra"					Assay Description Nucleotide hydrolysis was monitored by mixing enzyme and substrate with a rapid kinetic accessory (Hi-Tech Scientific) attached to a spectrophotomete...				J Enzyme Inhib Med Chem 24: 111-6 (2009) Article DOI: 10.1080/14756360801915476 BindingDB Entry DOI: 10.7270/Q2JH3JST
					More data for this Ligand-Target Pair
dCTP deaminase (Campylobacter jejuni)	BDBM50173566 (1-(4-Hydroxy-5-triisopropylsilanyloxymethyl-tetrah...) Show SMILES CC(C)[Si](OCC1OC(CC1O)n1ccc(=O)[nH]c1=O)(C(C)C)C(C)C Show InChI InChI=1S/C18H32N2O5Si/c1-11(2)26(12(3)4,13(5)6)24-10-15-14(21)9-17(25-15)20-8-7-16(22)19-18(20)23/h7-8,11-15,17,21H,9-10H2,1-6H3,(H,19,22,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+9	0	n/a	n/a	n/a	n/a	n/a	8.0	25
Instituto de Parastiologia y Biomedicina "Lopez-Neyra"					Assay Description Nucleotide hydrolysis was monitored by mixing enzyme and substrate with a rapid kinetic accessory (Hi-Tech Scientific) attached to a spectrophotomete...				J Enzyme Inhib Med Chem 24: 111-6 (2009) Article DOI: 10.1080/14756360801915476 BindingDB Entry DOI: 10.7270/Q2JH3JST
					More data for this Ligand-Target Pair
dCTP deaminase (Campylobacter jejuni)	BDBM50173576 (1-[5-(Benzylamino-methyl)-4-hydroxy-tetrahydro-fur...) Show SMILES OC1CC(OC1CNCc1ccccc1)n1ccc(=O)[nH]c1=O Show InChI InChI=1S/C16H19N3O4/c20-12-8-15(19-7-6-14(21)18-16(19)22)23-13(12)10-17-9-11-4-2-1-3-5-11/h1-7,12-13,15,17,20H,8-10H2,(H,18,21,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+9	0	n/a	n/a	n/a	n/a	n/a	8.0	25
Instituto de Parastiologia y Biomedicina "Lopez-Neyra"					Assay Description Nucleotide hydrolysis was monitored by mixing enzyme and substrate with a rapid kinetic accessory (Hi-Tech Scientific) attached to a spectrophotomete...				J Enzyme Inhib Med Chem 24: 111-6 (2009) Article DOI: 10.1080/14756360801915476 BindingDB Entry DOI: 10.7270/Q2JH3JST
					More data for this Ligand-Target Pair
dCTP deaminase (Campylobacter jejuni)	BDBM50173540 (1-[5-(tert-Butyl-diphenyl-silanyloxymethyl)-2,5-di...) Show SMILES CC(C)(C)[Si](OCC1OC(C=C1)n1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 |c:10| Show InChI InChI=1S/C25H28N2O4Si/c1-25(2,3)32(20-10-6-4-7-11-20,21-12-8-5-9-13-21)30-18-19-14-15-23(31-19)27-17-16-22(28)26-24(27)29/h4-17,19,23H,18H2,1-3H3,(H,26,28,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+9	0	n/a	n/a	n/a	n/a	n/a	8.0	25
Instituto de Parastiologia y Biomedicina "Lopez-Neyra"					Assay Description Nucleotide hydrolysis was monitored by mixing enzyme and substrate with a rapid kinetic accessory (Hi-Tech Scientific) attached to a spectrophotomete...				J Enzyme Inhib Med Chem 24: 111-6 (2009) Article DOI: 10.1080/14756360801915476 BindingDB Entry DOI: 10.7270/Q2JH3JST
					More data for this Ligand-Target Pair
dCTP deaminase (Campylobacter jejuni)	BDBM50173554 (CHEMBL194480 | Hexadecanoic acid 5-(2,4-dioxo-3,4-...) Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1OC(C=C1)n1ccc(=O)[nH]c1=O |c:22| Show InChI InChI=1S/C25H40N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(29)31-20-21-16-17-23(32-21)27-19-18-22(28)26-25(27)30/h16-19,21,23H,2-15,20H2,1H3,(H,26,28,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+9	0	n/a	n/a	n/a	n/a	n/a	8.0	25
Instituto de Parastiologia y Biomedicina "Lopez-Neyra"					Assay Description Nucleotide hydrolysis was monitored by mixing enzyme and substrate with a rapid kinetic accessory (Hi-Tech Scientific) attached to a spectrophotomete...				J Enzyme Inhib Med Chem 24: 111-6 (2009) Article DOI: 10.1080/14756360801915476 BindingDB Entry DOI: 10.7270/Q2JH3JST
					More data for this Ligand-Target Pair
dCTP deaminase (Campylobacter jejuni)	BDBM50173567 (1-[5-(tert-Butyl-dimethyl-silanyloxymethyl)-4-fluo...) Show SMILES CC(C)(C)[Si](C)(C)OCC1OC(CC1F)n1ccc(=O)[nH]c1=O Show InChI InChI=1S/C15H25FN2O4Si/c1-15(2,3)23(4,5)21-9-11-10(16)8-13(22-11)18-7-6-12(19)17-14(18)20/h6-7,10-11,13H,8-9H2,1-5H3,(H,17,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+9	0	n/a	n/a	n/a	n/a	n/a	8.0	25
Instituto de Parastiologia y Biomedicina "Lopez-Neyra"					Assay Description Nucleotide hydrolysis was monitored by mixing enzyme and substrate with a rapid kinetic accessory (Hi-Tech Scientific) attached to a spectrophotomete...				J Enzyme Inhib Med Chem 24: 111-6 (2009) Article DOI: 10.1080/14756360801915476 BindingDB Entry DOI: 10.7270/Q2JH3JST
					More data for this Ligand-Target Pair