Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50009747   

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 3 (Homo sapiens (Human))	BDBM50087401 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1cccc(c1)C(F)(F)F)(C(O)=O)C(O)=O |c:4| Show InChI InChI=1S/C21H23F3N4O5/c22-21(23,24)14-5-3-4-13(8-14)9-20(18(30)31,19(32)33)6-1-2-7-28-12-27-16-15(29)10-25-11-26-17(16)28/h3-5,8,11-12,15,29H,1-2,6-7,9-10H2,(H,25,26)(H,30,31)(H,32,33)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against porcine heart or recombinant human E-type AMPDA				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
AMP deaminase 3 (Homo sapiens (Human))	BDBM50087407 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccc(cc1)C(F)(F)F)(C(O)=O)C(O)=O |c:4| Show InChI InChI=1S/C21H23F3N4O5/c22-21(23,24)14-5-3-13(4-6-14)9-20(18(30)31,19(32)33)7-1-2-8-28-12-27-16-15(29)10-25-11-26-17(16)28/h3-6,11-12,15,29H,1-2,7-10H2,(H,25,26)(H,30,31)(H,32,33)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against porcine heart or recombinant human E-type AMPDA				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
AMP deaminase 3 (Homo sapiens (Human))	BDBM50087409 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1C(F)(F)F)(C(O)=O)C(O)=O |c:4| Show InChI InChI=1S/C21H23F3N4O5/c22-21(23,24)14-6-2-1-5-13(14)9-20(18(30)31,19(32)33)7-3-4-8-28-12-27-16-15(29)10-25-11-26-17(16)28/h1-2,5-6,11-12,15,29H,3-4,7-10H2,(H,25,26)(H,30,31)(H,32,33)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against porcine heart or recombinant human E-type AMPDA				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
AMP deaminase 3 (Homo sapiens (Human))	BDBM50087411 (2-Benzyl-2-[4-(8-hydroxy-7,8-dihydro-6H-imidazo[4,...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1)(C(O)=O)C(O)=O |c:4| Show InChI InChI=1S/C20H24N4O5/c25-15-11-21-12-22-17-16(15)23-13-24(17)9-5-4-8-20(18(26)27,19(28)29)10-14-6-2-1-3-7-14/h1-3,6-7,12-13,15,25H,4-5,8-11H2,(H,21,22)(H,26,27)(H,28,29)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against porcine heart or recombinant human E-type AMPDA				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
AMP deaminase 3 (Homo sapiens (Human))	BDBM50087408 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1C(F)(F)F)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |c:4| Show InChI InChI=1S/C35H35F3N4O5/c36-35(37,38)28-16-8-7-15-27(28)19-34(32(44)46-21-25-11-3-1-4-12-25,33(45)47-22-26-13-5-2-6-14-26)17-9-10-18-42-24-41-30-29(43)20-39-23-40-31(30)42/h1-8,11-16,23-24,29,43H,9-10,17-22H2,(H,39,40)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against porcine heart or recombinant human E-type AMPDA				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
AMP deaminase 3 (Homo sapiens (Human))	BDBM50087405 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(=O)OCc1ccccc1 |c:4| Show InChI InChI=1S/C20H24N4O5/c25-16-10-21-12-22-18-17(16)23-13-24(18)9-5-4-8-15(19(26)27)20(28)29-11-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-16,25H,4-5,8-11H2,(H,21,22)(H,26,27)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against porcine heart or recombinant human E-type AMPDA				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
AMP deaminase 3 (Homo sapiens (Human))	BDBM50087414 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)(Cc1ccccc1C(F)(F)F)C(=O)OCC |c:18| Show InChI InChI=1S/C25H31F3N4O5/c1-3-36-22(34)24(23(35)37-4-2,13-17-9-5-6-10-18(17)25(26,27)28)11-7-8-12-32-16-31-20-19(33)14-29-15-30-21(20)32/h5-6,9-10,15-16,19,33H,3-4,7-8,11-14H2,1-2H3,(H,29,30)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against porcine heart or recombinant human E-type AMPDA				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
AMP deaminase 3 (Homo sapiens (Human))	BDBM50087404 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(C(O)=O)C(=O)OCc1ccccc1 |c:14| Show InChI InChI=1S/C21H26N4O5/c1-21(19(27)28,20(29)30-12-15-7-3-2-4-8-15)9-5-6-10-25-14-24-17-16(26)11-22-13-23-18(17)25/h2-4,7-8,13-14,16,26H,5-6,9-12H2,1H3,(H,22,23)(H,27,28)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against porcine heart or recombinant human E-type AMPDA				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
AMP deaminase 3 (Homo sapiens (Human))	BDBM50087402 (6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...) Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(Cc1cccc(c1)C(F)(F)F)C(O)=O |c:14| Show InChI InChI=1S/C21H25F3N4O3/c1-20(19(30)31,10-14-5-4-6-15(9-14)21(22,23)24)7-2-3-8-28-13-27-17-16(29)11-25-12-26-18(17)28/h4-6,9,12-13,16,29H,2-3,7-8,10-11H2,1H3,(H,25,26)(H,30,31)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+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 Inhibitory activity against porcine heart or recombinant human E-type AMPDA				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
AMP deaminase 3 (Homo sapiens (Human))	BDBM50087417 (2-(4-Chloro-benzylcarbamoyl)-6-(8-hydroxy-7,8-dihy...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(=O)NCc1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C20H24ClN5O4/c21-14-6-4-13(5-7-14)9-23-19(28)15(20(29)30)3-1-2-8-26-12-25-17-16(27)10-22-11-24-18(17)26/h4-7,11-12,15-16,27H,1-3,8-10H2,(H,22,24)(H,23,28)(H,29,30)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+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 Inhibitory activity against porcine heart or recombinant human E-type AMPDA				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
AMP deaminase 3 (Homo sapiens (Human))	BDBM50087418 (6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...) Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(C(O)=O)C(=O)NCCc1ccccc1 |c:14| Show InChI InChI=1S/C22H29N5O4/c1-22(21(30)31,20(29)24-11-9-16-7-3-2-4-8-16)10-5-6-12-27-15-26-18-17(28)13-23-14-25-19(18)27/h2-4,7-8,14-15,17,28H,5-6,9-13H2,1H3,(H,23,25)(H,24,29)(H,30,31)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10E+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 Inhibitory activity against porcine heart or recombinant human E-type AMPDA				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
AMP deaminase 3 (Homo sapiens (Human))	BDBM50087410 (2-Benzylcarbamoyl-6-(8-hydroxy-7,8-dihydro-6H-imid...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(=O)NCc1ccccc1 |c:4| Show InChI InChI=1S/C20H25N5O4/c26-16-11-21-12-23-18-17(16)24-13-25(18)9-5-4-8-15(20(28)29)19(27)22-10-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-16,26H,4-5,8-11H2,(H,21,23)(H,22,27)(H,28,29)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+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 Inhibitory activity against porcine heart or recombinant human E-type AMPDA				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
AMP deaminase 3 (Homo sapiens (Human))	BDBM50087413 (2-Benzyl-2-[4-(8-hydroxy-7,8-dihydro-6H-imidazo[4,...) Show SMILES CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)(Cc1ccccc1)C(=O)OCC |c:18| Show InChI InChI=1S/C24H32N4O5/c1-3-32-22(30)24(23(31)33-4-2,14-18-10-6-5-7-11-18)12-8-9-13-28-17-27-20-19(29)15-25-16-26-21(20)28/h5-7,10-11,16-17,19,29H,3-4,8-9,12-15H2,1-2H3,(H,25,26)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60E+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 Inhibitory activity against porcine heart or recombinant human E-type AMPDA				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
AMP deaminase 3 (Homo sapiens (Human))	BDBM50087412 (6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...) Show SMILES OC1CNC=Nc2c1ncn2CCCCCC(O)=O |c:4| Show InChI InChI=1S/C12H18N4O3/c17-9-6-13-7-14-12-11(9)15-8-16(12)5-3-1-2-4-10(18)19/h7-9,17H,1-6H2,(H,13,14)(H,18,19)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20E+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 Inhibitory activity against porcine heart or recombinant human E-type AMPDA				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
AMP deaminase 3 (Homo sapiens (Human))	BDBM50087399 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(O)=O |c:4| Show InChI InChI=1S/C13H18N4O5/c18-9-5-14-6-15-11-10(9)16-7-17(11)4-2-1-3-8(12(19)20)13(21)22/h6-9,18H,1-5H2,(H,14,15)(H,19,20)(H,21,22)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.10E+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 Inhibitory activity against porcine heart or recombinant human E-type AMPDA				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
AMP deaminase 3 (Homo sapiens (Human))	BDBM50087400 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |c:14| Show InChI InChI=1S/C28H32N4O5/c1-28(26(34)36-17-21-10-4-2-5-11-21,27(35)37-18-22-12-6-3-7-13-22)14-8-9-15-32-20-31-24-23(33)16-29-19-30-25(24)32/h2-7,10-13,19-20,23,33H,8-9,14-18H2,1H3,(H,29,30)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.20E+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 Inhibitory activity against porcine heart or recombinant human E-type AMPDA				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
AMP deaminase 3 (Homo sapiens (Human))	BDBM50087403 (2-Cyclohexylcarbamoyl-6-(8-hydroxy-7,8-dihydro-6H-...) Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(C(O)=O)C(=O)NC1CCCCC1 |c:14| Show InChI InChI=1S/C20H31N5O4/c1-20(19(28)29,18(27)24-14-7-3-2-4-8-14)9-5-6-10-25-13-23-16-15(26)11-21-12-22-17(16)25/h12-15,26H,2-11H2,1H3,(H,21,22)(H,24,27)(H,28,29)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.20E+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 Inhibitory activity against porcine heart or recombinant human E-type AMPDA				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
AMP deaminase 3 (Homo sapiens (Human))	BDBM50087406 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(C(O)=O)C(O)=O |c:14| Show InChI InChI=1S/C14H20N4O5/c1-14(12(20)21,13(22)23)4-2-3-5-18-8-17-10-9(19)6-15-7-16-11(10)18/h7-9,19H,2-6H2,1H3,(H,15,16)(H,20,21)(H,22,23)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	6.00E+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 Inhibitory activity against porcine heart or recombinant human E-type AMPDA				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087411 (2-Benzyl-2-[4-(8-hydroxy-7,8-dihydro-6H-imidazo[4,...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1)(C(O)=O)C(O)=O |c:4| Show InChI InChI=1S/C20H24N4O5/c25-15-11-21-12-22-17-16(15)23-13-24(17)9-5-4-8-20(18(26)27,19(28)29)10-14-6-2-1-3-7-14/h1-3,6-7,12-13,15,25H,4-5,8-11H2,(H,21,22)(H,26,27)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+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 Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087415 (2-Carbamoyl-6-(8-hydroxy-7,8-dihydro-6H-imidazo[4,...) Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(C(N)=O)C(O)=O |c:14| Show InChI InChI=1S/C14H21N5O4/c1-14(12(15)21,13(22)23)4-2-3-5-19-8-18-10-9(20)6-16-7-17-11(10)19/h7-9,20H,2-6H2,1H3,(H2,15,21)(H,16,17)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+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 Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087409 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1C(F)(F)F)(C(O)=O)C(O)=O |c:4| Show InChI InChI=1S/C21H23F3N4O5/c22-21(23,24)14-6-2-1-5-13(14)9-20(18(30)31,19(32)33)7-3-4-8-28-12-27-16-15(29)10-25-11-26-17(16)28/h1-2,5-6,11-12,15,29H,3-4,7-10H2,(H,25,26)(H,30,31)(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+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 Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087417 (2-(4-Chloro-benzylcarbamoyl)-6-(8-hydroxy-7,8-dihy...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(=O)NCc1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C20H24ClN5O4/c21-14-6-4-13(5-7-14)9-23-19(28)15(20(29)30)3-1-2-8-26-12-25-17-16(27)10-22-11-24-18(17)26/h4-7,11-12,15-16,27H,1-3,8-10H2,(H,22,24)(H,23,28)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+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 Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087410 (2-Benzylcarbamoyl-6-(8-hydroxy-7,8-dihydro-6H-imid...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(=O)NCc1ccccc1 |c:4| Show InChI InChI=1S/C20H25N5O4/c26-16-11-21-12-23-18-17(16)24-13-25(18)9-5-4-8-15(20(28)29)19(27)22-10-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-16,26H,4-5,8-11H2,(H,21,23)(H,22,27)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+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 Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087399 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(O)=O |c:4| Show InChI InChI=1S/C13H18N4O5/c18-9-5-14-6-15-11-10(9)16-7-17(11)4-2-1-3-8(12(19)20)13(21)22/h6-9,18H,1-5H2,(H,14,15)(H,19,20)(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+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 Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087413 (2-Benzyl-2-[4-(8-hydroxy-7,8-dihydro-6H-imidazo[4,...) Show SMILES CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)(Cc1ccccc1)C(=O)OCC |c:18| Show InChI InChI=1S/C24H32N4O5/c1-3-32-22(30)24(23(31)33-4-2,14-18-10-6-5-7-11-18)12-8-9-13-28-17-27-20-19(29)15-25-16-26-21(20)28/h5-7,10-11,16-17,19,29H,3-4,8-9,12-15H2,1-2H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+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 Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087414 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)(Cc1ccccc1C(F)(F)F)C(=O)OCC |c:18| Show InChI InChI=1S/C25H31F3N4O5/c1-3-36-22(34)24(23(35)37-4-2,13-17-9-5-6-10-18(17)25(26,27)28)11-7-8-12-32-16-31-20-19(33)14-29-15-30-21(20)32/h5-6,9-10,15-16,19,33H,3-4,7-8,11-14H2,1-2H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+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 Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087408 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1C(F)(F)F)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |c:4| Show InChI InChI=1S/C35H35F3N4O5/c36-35(37,38)28-16-8-7-15-27(28)19-34(32(44)46-21-25-11-3-1-4-12-25,33(45)47-22-26-13-5-2-6-14-26)17-9-10-18-42-24-41-30-29(43)20-39-23-40-31(30)42/h1-8,11-16,23-24,29,43H,9-10,17-22H2,(H,39,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+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 Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087406 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(C(O)=O)C(O)=O |c:14| Show InChI InChI=1S/C14H20N4O5/c1-14(12(20)21,13(22)23)4-2-3-5-18-8-17-10-9(19)6-15-7-16-11(10)18/h7-9,19H,2-6H2,1H3,(H,15,16)(H,20,21)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>7.50E+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 Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087405 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(=O)OCc1ccccc1 |c:4| Show InChI InChI=1S/C20H24N4O5/c25-16-10-21-12-22-18-17(16)23-13-24(18)9-5-4-8-15(19(26)27)20(28)29-11-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-16,25H,4-5,8-11H2,(H,21,22)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+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 Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087404 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(C(O)=O)C(=O)OCc1ccccc1 |c:14| Show InChI InChI=1S/C21H26N4O5/c1-21(19(27)28,20(29)30-12-15-7-3-2-4-8-15)9-5-6-10-25-14-24-17-16(26)11-22-13-23-18(17)25/h2-4,7-8,13-14,16,26H,5-6,9-12H2,1H3,(H,22,23)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+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 Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087401 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1cccc(c1)C(F)(F)F)(C(O)=O)C(O)=O |c:4| Show InChI InChI=1S/C21H23F3N4O5/c22-21(23,24)14-5-3-4-13(8-14)9-20(18(30)31,19(32)33)6-1-2-7-28-12-27-16-15(29)10-25-11-26-17(16)28/h3-5,8,11-12,15,29H,1-2,6-7,9-10H2,(H,25,26)(H,30,31)(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+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 Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087407 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccc(cc1)C(F)(F)F)(C(O)=O)C(O)=O |c:4| Show InChI InChI=1S/C21H23F3N4O5/c22-21(23,24)14-5-3-13(4-6-14)9-20(18(30)31,19(32)33)7-1-2-8-28-12-27-16-15(29)10-25-11-26-17(16)28/h3-6,11-12,15,29H,1-2,7-10H2,(H,25,26)(H,30,31)(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+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 Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087400 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |c:14| Show InChI InChI=1S/C28H32N4O5/c1-28(26(34)36-17-21-10-4-2-5-11-21,27(35)37-18-22-12-6-3-7-13-22)14-8-9-15-32-20-31-24-23(33)16-29-19-30-25(24)32/h2-7,10-13,19-20,23,33H,8-9,14-18H2,1H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+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 Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087418 (6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...) Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(C(O)=O)C(=O)NCCc1ccccc1 |c:14| Show InChI InChI=1S/C22H29N5O4/c1-22(21(30)31,20(29)24-11-9-16-7-3-2-4-8-16)10-5-6-12-27-15-26-18-17(28)13-23-14-25-19(18)27/h2-4,7-8,14-15,17,28H,5-6,9-13H2,1H3,(H,23,25)(H,24,29)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+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 Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087403 (2-Cyclohexylcarbamoyl-6-(8-hydroxy-7,8-dihydro-6H-...) Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(C(O)=O)C(=O)NC1CCCCC1 |c:14| Show InChI InChI=1S/C20H31N5O4/c1-20(19(28)29,18(27)24-14-7-3-2-4-8-14)9-5-6-10-25-13-23-16-15(26)11-21-12-22-17(16)25/h12-15,26H,2-11H2,1H3,(H,21,22)(H,24,27)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+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 Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087402 (6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...) Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(Cc1cccc(c1)C(F)(F)F)C(O)=O |c:14| Show InChI InChI=1S/C21H25F3N4O3/c1-20(19(30)31,10-14-5-4-6-15(9-14)21(22,23)24)7-2-3-8-28-13-27-17-16(29)11-25-12-26-18(17)28/h4-6,9,12-13,16,29H,2-3,7-8,10-11H2,1H3,(H,25,26)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+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 Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
AMP deaminase 3 (Homo sapiens (Human))	BDBM50087415 (2-Carbamoyl-6-(8-hydroxy-7,8-dihydro-6H-imidazo[4,...) Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(C(N)=O)C(O)=O |c:14| Show InChI InChI=1S/C14H21N5O4/c1-14(12(15)21,13(22)23)4-2-3-5-19-8-18-10-9(20)6-16-7-17-11(10)19/h7-9,20H,2-6H2,1H3,(H2,15,21)(H,16,17)(H,22,23)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.80E+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 Inhibitory activity against porcine heart or recombinant human E-type AMPDA				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
AMP deaminase 3 (Homo sapiens (Human))	BDBM50087416 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES CCOC(=O)C(C)(CCCCn1cnc2C(O)CNC=Nc12)C(=O)OCC |c:19| Show InChI InChI=1S/C18H28N4O5/c1-4-26-16(24)18(3,17(25)27-5-2)8-6-7-9-22-12-21-14-13(23)10-19-11-20-15(14)22/h11-13,23H,4-10H2,1-3H3,(H,19,20)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.48E+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 Inhibitory activity against porcine heart or recombinant human E-type AMPDA				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087412 (6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...) Show SMILES OC1CNC=Nc2c1ncn2CCCCCC(O)=O |c:4| Show InChI InChI=1S/C12H18N4O3/c17-9-6-13-7-14-12-11(9)15-8-16(12)5-3-1-2-4-10(18)19/h7-9,17H,1-6H2,(H,13,14)(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80E+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 Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087416 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES CCOC(=O)C(C)(CCCCn1cnc2C(O)CNC=Nc12)C(=O)OCC |c:19| Show InChI InChI=1S/C18H28N4O5/c1-4-26-16(24)18(3,17(25)27-5-2)8-6-7-9-22-12-21-14-13(23)10-19-11-20-15(14)22/h11-13,23H,4-10H2,1-3H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+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 Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair