Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with Target = 'AMP deaminase 1'   

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
AMP deaminase 1 (Mus musculus (Mouse))	BDBM154584 (4-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...) Show SMILES COc1cc(ccc1C(O)=O)-c1ccc(CN[C@H](C)c2cccc3ccncc23)cc1 |r| Show InChI InChI=1S/C26H24N2O3/c1-17(22-5-3-4-20-12-13-27-16-24(20)22)28-15-18-6-8-19(9-7-18)21-10-11-23(26(29)30)25(14-21)31-2/h3-14,16-17,28H,15H2,1-2H3,(H,29,30)/t17-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.4	n/a
AstraZeneca R&D					Assay Description AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...				Chem Biol 21: 1486-96 (2014) Article DOI: 10.1016/j.chembiol.2014.09.011 BindingDB Entry DOI: 10.7270/Q2M0445M
					More data for this Ligand-Target Pair
AMP deaminase 1 (Rattus norvegicus (Rat))	BDBM154584 (4-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...) Show SMILES COc1cc(ccc1C(O)=O)-c1ccc(CN[C@H](C)c2cccc3ccncc23)cc1 |r| Show InChI InChI=1S/C26H24N2O3/c1-17(22-5-3-4-20-12-13-27-16-24(20)22)28-15-18-6-8-19(9-7-18)21-10-11-23(26(29)30)25(14-21)31-2/h3-14,16-17,28H,15H2,1-2H3,(H,29,30)/t17-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.4	n/a
AstraZeneca R&D					Assay Description AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...				Chem Biol 21: 1486-96 (2014) Article DOI: 10.1016/j.chembiol.2014.09.011 BindingDB Entry DOI: 10.7270/Q2M0445M
					More data for this Ligand-Target Pair
AMP deaminase 1 (Mus musculus (Mouse))	BDBM154583 (6-[4-({[(1S)-1-(isoquinolin-8-yl)ethyl]amino}methy...) Show SMILES C[C@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12 |r| Show InChI InChI=1S/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	7.4	n/a
AstraZeneca R&D					Assay Description AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...				Chem Biol 21: 1486-96 (2014) Article DOI: 10.1016/j.chembiol.2014.09.011 BindingDB Entry DOI: 10.7270/Q2M0445M
					More data for this Ligand-Target Pair
AMP deaminase 1 (Homo sapiens (Human))	BDBM154584 (4-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...) Show SMILES COc1cc(ccc1C(O)=O)-c1ccc(CN[C@H](C)c2cccc3ccncc23)cc1 |r| Show InChI InChI=1S/C26H24N2O3/c1-17(22-5-3-4-20-12-13-27-16-24(20)22)28-15-18-6-8-19(9-7-18)21-10-11-23(26(29)30)25(14-21)31-2/h3-14,16-17,28H,15H2,1-2H3,(H,29,30)/t17-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	7.4	n/a
AstraZeneca R&D					Assay Description AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...				Chem Biol 21: 1486-96 (2014) Article DOI: 10.1016/j.chembiol.2014.09.011 BindingDB Entry DOI: 10.7270/Q2M0445M
					More data for this Ligand-Target Pair
AMP deaminase 1 (Rattus norvegicus (Rat))	BDBM154583 (6-[4-({[(1S)-1-(isoquinolin-8-yl)ethyl]amino}methy...) Show SMILES C[C@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12 |r| Show InChI InChI=1S/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	7.4	n/a
AstraZeneca R&D					Assay Description AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...				Chem Biol 21: 1486-96 (2014) Article DOI: 10.1016/j.chembiol.2014.09.011 BindingDB Entry DOI: 10.7270/Q2M0445M
					More data for this Ligand-Target Pair
AMP deaminase 1 (Homo sapiens (Human))	BDBM154583 (6-[4-({[(1S)-1-(isoquinolin-8-yl)ethyl]amino}methy...) Show SMILES C[C@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12 |r| Show InChI InChI=1S/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	7.4	n/a
AstraZeneca R&D					Assay Description AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...				Chem Biol 21: 1486-96 (2014) Article DOI: 10.1016/j.chembiol.2014.09.011 BindingDB Entry DOI: 10.7270/Q2M0445M
					More data for this Ligand-Target Pair
AMP deaminase 1 (Oryctolagus cuniculus)	BDBM50004698 (CHEMBL1160282) Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)c1n[nH]c2cncnc12 |r| Show InChI InChI=1S/C10H13N4O7P/c15-8-5(2-20-22(17,18)19)21-10(9(8)16)7-6-4(13-14-7)1-11-3-12-6/h1,3,5,8-10,15-16H,2H2,(H,13,14)(H2,17,18,19)/t5-,8-,9-,10+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
AgrEvo UK Limited Curated by ChEMBL					Assay Description Inhibition of Oryctolagus cuniculus (rabbit) muscle adenylate deaminase				Bioorg Med Chem Lett 9: 1985-90 (1999) BindingDB Entry DOI: 10.7270/Q2WQ0591
					More data for this Ligand-Target Pair
AMP deaminase 1 (Homo sapiens (Human))	BDBM50096172 (1-Bromo-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5...) Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(C(O)=O)c(Br)c2CCCCc12 |c:4| Show InChI InChI=1S/C19H21BrN4O3/c20-16-13-4-2-1-3-12(13)11(7-14(16)19(26)27)5-6-24-10-23-17-15(25)8-21-9-22-18(17)24/h7,9-10,15,25H,1-6,8H2,(H,21,22)(H,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human skeletal muscle AMPD1				ACS Med Chem Lett 1: 286-289 (2010) Article DOI: 10.1021/ml100092a BindingDB Entry DOI: 10.7270/Q2X0683X
					More data for this Ligand-Target Pair
AMP deaminase 1 (Homo sapiens (Human))	BDBM154581 (6-[4-({[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl...) Show SMILES C[C@@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccccc12 |r| Show InChI InChI=1S/C25H22N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)26-15-18-9-11-20(12-10-18)24-14-13-21(16-27-24)25(28)29/h2-14,16-17,26H,15H2,1H3,(H,28,29)/t17-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	7.4	n/a
AstraZeneca R&D					Assay Description AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...				Chem Biol 21: 1486-96 (2014) Article DOI: 10.1016/j.chembiol.2014.09.011 BindingDB Entry DOI: 10.7270/Q2M0445M
					More data for this Ligand-Target Pair
AMP deaminase 1 (Mus musculus (Mouse))	BDBM154582 (6-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...) Show SMILES C[C@@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12 |r| Show InChI InChI=1S/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	7.4	n/a
AstraZeneca R&D					Assay Description AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...				Chem Biol 21: 1486-96 (2014) Article DOI: 10.1016/j.chembiol.2014.09.011 BindingDB Entry DOI: 10.7270/Q2M0445M
					More data for this Ligand-Target Pair
AMP deaminase 1 (Rattus norvegicus (Rat))	BDBM154582 (6-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...) Show SMILES C[C@@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12 |r| Show InChI InChI=1S/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	7.4	n/a
AstraZeneca R&D					Assay Description AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...				Chem Biol 21: 1486-96 (2014) Article DOI: 10.1016/j.chembiol.2014.09.011 BindingDB Entry DOI: 10.7270/Q2M0445M
					More data for this Ligand-Target Pair
AMP deaminase 1 (Homo sapiens (Human))	BDBM154582 (6-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...) Show SMILES C[C@@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12 |r| Show InChI InChI=1S/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	7.4	n/a
AstraZeneca R&D					Assay Description AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...				Chem Biol 21: 1486-96 (2014) Article DOI: 10.1016/j.chembiol.2014.09.011 BindingDB Entry DOI: 10.7270/Q2M0445M
					More data for this Ligand-Target Pair
AMP deaminase 1 (Oryctolagus cuniculus)	BDBM50004699 (CHEBI:45262 | CHEMBL96862 | US11185100, TABLE 9.3) Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2cncnc12 |r| Show InChI InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars	PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AgrEvo UK Limited Curated by ChEMBL					Assay Description Inhibition of Oryctolagus cuniculus (rabbit) muscle adenylate deaminase				Bioorg Med Chem Lett 9: 1985-90 (1999) BindingDB Entry DOI: 10.7270/Q2WQ0591
					More data for this Ligand-Target Pair
AMP deaminase 1 (Homo sapiens (Human))	BDBM50087313 (8-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...) Show SMILES OC1CNC=Nc2c1ncn2CCCCCCCC(O)=O |c:4| Show InChI InChI=1S/C14H22N4O3/c19-11-8-15-9-16-14-13(11)17-10-18(14)7-5-3-1-2-4-6-12(20)21/h9-11,19H,1-8H2,(H,15,16)(H,20,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)				J Med Chem 43: 1495-507 (2000) BindingDB Entry DOI: 10.7270/Q2Z31XWJ
					More data for this Ligand-Target Pair
AMP deaminase 1 (Homo sapiens (Human))	BDBM50087307 (3-Heptyl-3,6,7,8-tetrahydro-imidazo[4,5-d][1,3]dia...) Show SMILES CCCCCCCn1cnc2C(O)CNC=Nc12 |c:15| Show InChI InChI=1S/C13H22N4O/c1-2-3-4-5-6-7-17-10-16-12-11(18)8-14-9-15-13(12)17/h9-11,18H,2-8H2,1H3,(H,14,15)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)				J Med Chem 43: 1495-507 (2000) BindingDB Entry DOI: 10.7270/Q2Z31XWJ
					More data for this Ligand-Target Pair
AMP deaminase 1 (Homo sapiens (Human))	BDBM50087317 (3-Octyl-3,6,7,8-tetrahydro-imidazo[4,5-d][1,3]diaz...) Show SMILES CCCCCCCCn1cnc2C(O)CNC=Nc12 |c:16| Show InChI InChI=1S/C14H24N4O/c1-2-3-4-5-6-7-8-18-11-17-13-12(19)9-15-10-16-14(13)18/h10-12,19H,2-9H2,1H3,(H,15,16)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)				J Med Chem 43: 1495-507 (2000) BindingDB Entry DOI: 10.7270/Q2Z31XWJ
					More data for this Ligand-Target Pair
AMP deaminase 1 (Homo sapiens (Human))	BDBM50087311 (8-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...) Show SMILES COC(=O)CCCCCCCn1cnc2C(O)CNC=Nc12 |c:19| Show InChI InChI=1S/C15H24N4O3/c1-22-13(21)7-5-3-2-4-6-8-19-11-18-14-12(20)9-16-10-17-15(14)19/h10-12,20H,2-9H2,1H3,(H,16,17)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)				J Med Chem 43: 1495-507 (2000) BindingDB Entry DOI: 10.7270/Q2Z31XWJ
					More data for this Ligand-Target Pair
AMP deaminase 1 (Homo sapiens (Human))	BDBM50087301 (CHEMBL290418 | Sodium; 4-(8-hydroxy-7,8-dihydro-6H...) Show SMILES OC1CNC=Nc2c1ncn2COCCCC([O-])=O |c:4| Show InChI InChI=1S/C11H16N4O4/c16-8-4-12-5-13-11-10(8)14-6-15(11)7-19-3-1-2-9(17)18/h5-6,8,16H,1-4,7H2,(H,12,13)(H,17,18)/p-1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)				J Med Chem 43: 1495-507 (2000) BindingDB Entry DOI: 10.7270/Q2Z31XWJ
					More data for this Ligand-Target Pair
AMP deaminase 1 (Homo sapiens (Human))	BDBM50087303 (7-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...) Show SMILES OC1CNC=Nc2c1ncn2CCCCCCC#N |c:4| Show InChI InChI=1S/C13H19N5O/c14-6-4-2-1-3-5-7-18-10-17-12-11(19)8-15-9-16-13(12)18/h9-11,19H,1-5,7-8H2,(H,15,16)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)				J Med Chem 43: 1495-507 (2000) BindingDB Entry DOI: 10.7270/Q2Z31XWJ
					More data for this Ligand-Target Pair