Compile Data Set for Download or QSAR

Found 82 hits of ph data with Target = 'Adenosine deaminase'   

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
Adenosine deaminase (Bos taurus (bovine))	BDBM50240434 (2-[1-(6-Amino-purin-9-yl)-2-oxo-ethoxy]-propenal |...) Show SMILES Nc1ncnc2n(cnc12)C(OC(=C)C=O)C=O Show InChI InChI=1S/C10H9N5O3/c1-6(2-16)18-7(3-17)15-5-14-8-9(11)12-4-13-10(8)15/h2-5,7H,1H2,(H2,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0 was determined before heating				J Med Chem 23: 795-8 (1980) BindingDB Entry DOI: 10.7270/Q29C6WGH
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50029130 (Adenosine dialdehyde | CHEMBL165876) Show SMILES Nc1ncnc2n(cnc12)[C@H](O[C@H](CO)C=O)C=O Show InChI InChI=1S/C10H11N5O4/c11-9-8-10(13-4-12-9)15(5-14-8)7(3-18)19-6(1-16)2-17/h1,3-7,17H,2H2,(H2,11,12,13)/t6-,7+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitor constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0, was determined after heating to 100 degrees celsius				J Med Chem 23: 795-8 (1980) BindingDB Entry DOI: 10.7270/Q29C6WGH
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50029133 ((2R)-2-[(1S)-1-(6-amino-9H-purin-9-yl)-2-oxoethoxy...) Show SMILES Nc1ncnc2n(cnc12)[C@@H](O[C@H](CO)C=O)C=O Show InChI InChI=1S/C10H11N5O4/c11-9-8-10(13-4-12-9)15(5-14-8)7(3-18)19-6(1-16)2-17/h1,3-7,17H,2H2,(H2,11,12,13)/t6-,7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitor constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0 was determined after heating to 100 degrees celsius				J Med Chem 23: 795-8 (1980) BindingDB Entry DOI: 10.7270/Q29C6WGH
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM21955 (4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxym...) Show SMILES Nc1n[nH]c(=O)c2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H13N5O5/c11-8-4-5(9(19)14-13-8)15(2-12-4)10-7(18)6(17)3(1-16)20-10/h2-3,6-7,10,16-18H,1H2,(H2,11,13)(H,14,19)/t3-,6-,7-,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.06E+4	-28.4	n/a	n/a	n/a	n/a	n/a	7.0	25
University of Maryland Baltimore County					Assay Description The target compounds were screened against calf intestine ADA in vitro by monitoring the rate of hydrolyzing adenosine into inosine spectrophotometri...				J Med Chem 51: 694-8 (2008) Article DOI: 10.1021/jm700931t BindingDB Entry DOI: 10.7270/Q20R9MP1
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM21953 (4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)o...) Show SMILES Nc1n[nH]c(=O)c2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 |r| Show InChI InChI=1S/C10H13N5O4/c11-9-7-8(10(18)14-13-9)15(3-12-7)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H2,11,13)(H,14,18)/t4-,5+,6+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.21E+4	-28.1	n/a	n/a	n/a	n/a	n/a	7.0	25
University of Maryland Baltimore County					Assay Description The target compounds were screened against calf intestine ADA in vitro by monitoring the rate of hydrolyzing adenosine into inosine spectrophotometri...				J Med Chem 51: 694-8 (2008) Article DOI: 10.1021/jm700931t BindingDB Entry DOI: 10.7270/Q20R9MP1
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50421659 (CHEMBL2304162) Show SMILES CC(O)[C@H](O[C@@H](C=O)n1cnc2c(N)ncnc12)C=O Show InChI InChI=1S/C11H13N5O4/c1-6(19)7(2-17)20-8(3-18)16-5-15-9-10(12)13-4-14-11(9)16/h2-8,19H,1H3,(H2,12,13,14)/t6?,7-,8+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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	7.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0, was determined before heating				J Med Chem 23: 795-8 (1980) BindingDB Entry DOI: 10.7270/Q29C6WGH
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50421659 (CHEMBL2304162) Show SMILES CC(O)[C@H](O[C@@H](C=O)n1cnc2c(N)ncnc12)C=O Show InChI InChI=1S/C11H13N5O4/c1-6(19)7(2-17)20-8(3-18)16-5-15-9-10(12)13-4-14-11(9)16/h2-8,19H,1H3,(H2,12,13,14)/t6?,7-,8+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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	7.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitor constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0 was determined after heating to 100 degrees celsius				J Med Chem 23: 795-8 (1980) BindingDB Entry DOI: 10.7270/Q29C6WGH
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50029129 ((2R)-2-[(1S)-1-(6-amino-9H-purin-9-yl)-2-oxoethoxy...) Show SMILES CC(O)[C@@H](O[C@@H](C=O)n1cnc2c(N)ncnc12)C=O Show InChI InChI=1S/C11H13N5O4/c1-6(19)7(2-17)20-8(3-18)16-5-15-9-10(12)13-4-14-11(9)16/h2-8,19H,1H3,(H2,12,13,14)/t6?,7-,8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitor constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0 was determined after heating to 100 degrees celsius				J Med Chem 23: 795-8 (1980) BindingDB Entry DOI: 10.7270/Q29C6WGH
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50029129 ((2R)-2-[(1S)-1-(6-amino-9H-purin-9-yl)-2-oxoethoxy...) Show SMILES CC(O)[C@@H](O[C@@H](C=O)n1cnc2c(N)ncnc12)C=O Show InChI InChI=1S/C11H13N5O4/c1-6(19)7(2-17)20-8(3-18)16-5-15-9-10(12)13-4-14-11(9)16/h2-8,19H,1H3,(H2,12,13,14)/t6?,7-,8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitor constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0 was determined after heating to 100 degrees celsius				J Med Chem 23: 795-8 (1980) BindingDB Entry DOI: 10.7270/Q29C6WGH
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM21957 (4-(hydrazinocarbonyl)-1-beta-D-ribofuranosyl-1H-im...) Show SMILES NNC(=N)c1c(ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)NN |r| Show InChI InChI=1S/C10H17N7O5/c11-8(15-12)5-4(9(21)16-13)14-2-17(5)10-7(20)6(19)3(1-18)22-10/h2-3,6-7,10,18-20H,1,12-13H2,(H2,11,15)(H,16,21)/t3-,6-,7-,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.65E+4	-26.1	n/a	n/a	n/a	n/a	n/a	7.0	25
University of Maryland Baltimore County					Assay Description The target compounds were screened against calf intestine ADA in vitro by monitoring the rate of hydrolyzing adenosine into inosine spectrophotometri...				J Med Chem 51: 694-8 (2008) Article DOI: 10.1021/jm700931t BindingDB Entry DOI: 10.7270/Q20R9MP1
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50421667 (CHEMBL2304163) Show SMILES C[C@H](O[C@@H](C=O)n1cnc2c(N)ncnc12)C=O Show InChI InChI=1S/C10H11N5O3/c1-6(2-16)18-7(3-17)15-5-14-8-9(11)12-4-13-10(8)15/h2-7H,1H3,(H2,11,12,13)/t6-,7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0 was determined before heating				J Med Chem 23: 795-8 (1980) BindingDB Entry DOI: 10.7270/Q29C6WGH
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50421667 (CHEMBL2304163) Show SMILES C[C@H](O[C@@H](C=O)n1cnc2c(N)ncnc12)C=O Show InChI InChI=1S/C10H11N5O3/c1-6(2-16)18-7(3-17)15-5-14-8-9(11)12-4-13-10(8)15/h2-7H,1H3,(H2,11,12,13)/t6-,7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0 was determined before heating				J Med Chem 23: 795-8 (1980) BindingDB Entry DOI: 10.7270/Q29C6WGH
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50421667 (CHEMBL2304163) Show SMILES C[C@H](O[C@@H](C=O)n1cnc2c(N)ncnc12)C=O Show InChI InChI=1S/C10H11N5O3/c1-6(2-16)18-7(3-17)15-5-14-8-9(11)12-4-13-10(8)15/h2-7H,1H3,(H2,11,12,13)/t6-,7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0 was determined before heating				J Med Chem 23: 795-8 (1980) BindingDB Entry DOI: 10.7270/Q29C6WGH
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50421667 (CHEMBL2304163) Show SMILES C[C@H](O[C@@H](C=O)n1cnc2c(N)ncnc12)C=O Show InChI InChI=1S/C10H11N5O3/c1-6(2-16)18-7(3-17)15-5-14-8-9(11)12-4-13-10(8)15/h2-7H,1H3,(H2,11,12,13)/t6-,7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitor constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0 was determined after heating to 100 degrees celsius				J Med Chem 23: 795-8 (1980) BindingDB Entry DOI: 10.7270/Q29C6WGH
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50029129 ((2R)-2-[(1S)-1-(6-amino-9H-purin-9-yl)-2-oxoethoxy...) Show SMILES CC(O)[C@@H](O[C@@H](C=O)n1cnc2c(N)ncnc12)C=O Show InChI InChI=1S/C11H13N5O4/c1-6(19)7(2-17)20-8(3-18)16-5-15-9-10(12)13-4-14-11(9)16/h2-8,19H,1H3,(H2,12,13,14)/t6?,7-,8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitor constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0 was determined after heating to 100 degrees celsius				J Med Chem 23: 795-8 (1980) BindingDB Entry DOI: 10.7270/Q29C6WGH
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50029134 ((2R)-2-(6-amino-9H-purin-9-yl)-2-(2-oxoethoxy)acet...) Show SMILES Nc1ncnc2n(cnc12)[C@H](OCC=O)C=O Show InChI InChI=1S/C9H9N5O3/c10-8-7-9(12-4-11-8)14(5-13-7)6(3-16)17-2-1-15/h1,3-6H,2H2,(H2,10,11,12)/t6-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitor constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0 was determined after heating to 100 degrees celsius				J Med Chem 23: 795-8 (1980) BindingDB Entry DOI: 10.7270/Q29C6WGH
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50029134 ((2R)-2-(6-amino-9H-purin-9-yl)-2-(2-oxoethoxy)acet...) Show SMILES Nc1ncnc2n(cnc12)[C@H](OCC=O)C=O Show InChI InChI=1S/C9H9N5O3/c10-8-7-9(12-4-11-8)14(5-13-7)6(3-16)17-2-1-15/h1,3-6H,2H2,(H2,10,11,12)/t6-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0 was determined before heating				J Med Chem 23: 795-8 (1980) BindingDB Entry DOI: 10.7270/Q29C6WGH
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM21956 (7-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxym...) Show SMILES Nc1n[nH]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c12 |r| Show InChI InChI=1S/C10H13N5O5/c11-8-5-4(9(19)14-13-8)12-2-15(5)10-7(18)6(17)3(1-16)20-10/h2-3,6-7,10,16-18H,1H2,(H2,11,13)(H,14,19)/t3-,6-,7-,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.14E+4	-24.5	n/a	n/a	n/a	n/a	n/a	7.0	25
University of Maryland Baltimore County					Assay Description The target compounds were screened against calf intestine ADA in vitro by monitoring the rate of hydrolyzing adenosine into inosine spectrophotometri...				J Med Chem 51: 694-8 (2008) Article DOI: 10.1021/jm700931t BindingDB Entry DOI: 10.7270/Q20R9MP1
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM21954 (7-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)o...) Show SMILES Nc1n[nH]c(=O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c12 |r| Show InChI InChI=1S/C10H13N5O4/c11-9-8-7(10(18)14-13-9)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H2,11,13)(H,14,18)/t4-,5+,6+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	5.20E+4	-24.5	n/a	n/a	n/a	n/a	n/a	7.0	25
University of Maryland Baltimore County					Assay Description The target compounds were screened against calf intestine ADA in vitro by monitoring the rate of hydrolyzing adenosine into inosine spectrophotometri...				J Med Chem 51: 694-8 (2008) Article DOI: 10.1021/jm700931t BindingDB Entry DOI: 10.7270/Q20R9MP1
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50421659 (CHEMBL2304162) Show SMILES CC(O)[C@H](O[C@@H](C=O)n1cnc2c(N)ncnc12)C=O Show InChI InChI=1S/C11H13N5O4/c1-6(19)7(2-17)20-8(3-18)16-5-15-9-10(12)13-4-14-11(9)16/h2-8,19H,1H3,(H2,12,13,14)/t6?,7-,8+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0 was determined before heating				J Med Chem 23: 795-8 (1980) BindingDB Entry DOI: 10.7270/Q29C6WGH
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50421659 (CHEMBL2304162) Show SMILES CC(O)[C@H](O[C@@H](C=O)n1cnc2c(N)ncnc12)C=O Show InChI InChI=1S/C11H13N5O4/c1-6(19)7(2-17)20-8(3-18)16-5-15-9-10(12)13-4-14-11(9)16/h2-8,19H,1H3,(H2,12,13,14)/t6?,7-,8+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0 was determined before heating				J Med Chem 23: 795-8 (1980) BindingDB Entry DOI: 10.7270/Q29C6WGH
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50029133 ((2R)-2-[(1S)-1-(6-amino-9H-purin-9-yl)-2-oxoethoxy...) Show SMILES Nc1ncnc2n(cnc12)[C@@H](O[C@H](CO)C=O)C=O Show InChI InChI=1S/C10H11N5O4/c11-9-8-10(13-4-12-9)15(5-14-8)7(3-18)19-6(1-16)2-17/h1,3-7,17H,2H2,(H2,11,12,13)/t6-,7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	3.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0, was determined before heating				J Med Chem 23: 795-8 (1980) BindingDB Entry DOI: 10.7270/Q29C6WGH
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50029129 ((2R)-2-[(1S)-1-(6-amino-9H-purin-9-yl)-2-oxoethoxy...) Show SMILES CC(O)[C@@H](O[C@@H](C=O)n1cnc2c(N)ncnc12)C=O Show InChI InChI=1S/C11H13N5O4/c1-6(19)7(2-17)20-8(3-18)16-5-15-9-10(12)13-4-14-11(9)16/h2-8,19H,1H3,(H2,12,13,14)/t6?,7-,8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0 was determined before heating				J Med Chem 23: 795-8 (1980) BindingDB Entry DOI: 10.7270/Q29C6WGH
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50029130 (Adenosine dialdehyde | CHEMBL165876) Show SMILES Nc1ncnc2n(cnc12)[C@H](O[C@H](CO)C=O)C=O Show InChI InChI=1S/C10H11N5O4/c11-9-8-10(13-4-12-9)15(5-14-8)7(3-18)19-6(1-16)2-17/h1,3-7,17H,2H2,(H2,11,12,13)/t6-,7+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	5.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitor constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0 was determined after heating to 100 degrees celsius				J Med Chem 23: 795-8 (1980) BindingDB Entry DOI: 10.7270/Q29C6WGH
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50029136 ((2S)-2-(6-amino-9H-purin-9-yl)-2-(2-oxoethoxy)acet...) Show SMILES Nc1ncnc2n(cnc12)[C@@H](OCC=O)C=O Show InChI InChI=1S/C9H9N5O3/c10-8-7-9(12-4-11-8)14(5-13-7)6(3-16)17-2-1-15/h1,3-6H,2H2,(H2,10,11,12)/t6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0 was determined before heating				J Med Chem 23: 795-8 (1980) BindingDB Entry DOI: 10.7270/Q29C6WGH
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50029136 ((2S)-2-(6-amino-9H-purin-9-yl)-2-(2-oxoethoxy)acet...) Show SMILES Nc1ncnc2n(cnc12)[C@@H](OCC=O)C=O Show InChI InChI=1S/C9H9N5O3/c10-8-7-9(12-4-11-8)14(5-13-7)6(3-16)17-2-1-15/h1,3-6H,2H2,(H2,10,11,12)/t6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0 was determined before heating				J Med Chem 23: 795-8 (1980) BindingDB Entry DOI: 10.7270/Q29C6WGH
					More data for this Ligand-Target Pair
Adenosine deaminase (Streptomyces antibioticus)	BDBM223291 (Pentostatin (PTN)) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CN=CNc12 |c:16| Show InChI InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1	-52.2	n/a	n/a	n/a	n/a	n/a	7.2	30
Wuhan University					Assay Description For the ADA activity assay, a reaction comprising 50 mM potassium phosphate buffer (pH 7.2), 0.1 mM Ara-A or adenosine, and 20 mg ADA was conducted a...				Cell Chem Biol 24: 171-181 (2017) Article DOI: 10.1016/j.chembiol.2016.12.012 BindingDB Entry DOI: 10.7270/Q2RF5SXF
					More data for this Ligand-Target Pair
Adenosine deaminase (Streptomyces antibioticus)	BDBM223291 (Pentostatin (PTN)) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CN=CNc12 |c:16| Show InChI InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.10	-50.4	n/a	n/a	n/a	n/a	n/a	7.2	30
Wuhan University					Assay Description For the ADA activity assay, a reaction comprising 50 mM potassium phosphate buffer (pH 7.2), 0.1 mM Ara-A or adenosine, and 20 mg ADA was conducted a...				Cell Chem Biol 24: 171-181 (2017) Article DOI: 10.1016/j.chembiol.2016.12.012 BindingDB Entry DOI: 10.7270/Q2RF5SXF
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM28388 (3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-y...) Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(Cn3cc4c(n3)nc[nH]c4=O)cc2)cc1 Show InChI InChI=1S/C20H15F3N6O2/c21-20(22,23)13-3-7-15(8-4-13)27-19(31)26-14-5-1-12(2-6-14)9-29-10-16-17(28-29)24-11-25-18(16)30/h1-8,10-11H,9H2,(H2,26,27,31)(H,24,25,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	160	-39.4	n/a	n/a	n/a	n/a	n/a	7.2	30
Universita di Pisa					Assay Description The activity of ADA was determined spectrophotometrically by monitoring the change in absorbance at 262 nm, due to the deamination of adenosine catal...				J Med Chem 52: 1681-92 (2009) Article DOI: 10.1021/jm801427r BindingDB Entry DOI: 10.7270/Q29K48J8
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM28383 (N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-y...) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1 Show InChI InChI=1S/C20H14F3N5O2/c21-20(22,23)14-5-3-13(4-6-14)18(29)26-15-7-1-12(2-8-15)9-28-10-16-17(27-28)24-11-25-19(16)30/h1-8,10-11H,9H2,(H,26,29)(H,24,25,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	510	-36.5	n/a	n/a	n/a	n/a	n/a	7.2	30
Universita di Pisa					Assay Description The activity of ADA was determined spectrophotometrically by monitoring the change in absorbance at 262 nm, due to the deamination of adenosine catal...				J Med Chem 52: 1681-92 (2009) Article DOI: 10.1021/jm801427r BindingDB Entry DOI: 10.7270/Q29K48J8
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM28382 (4-fluoro-N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyri...) Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1 Show InChI InChI=1S/C19H14FN5O2/c20-14-5-3-13(4-6-14)18(26)23-15-7-1-12(2-8-15)9-25-10-16-17(24-25)21-11-22-19(16)27/h1-8,10-11H,9H2,(H,23,26)(H,21,22,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	960	-34.9	n/a	n/a	n/a	n/a	n/a	7.2	30
Universita di Pisa					Assay Description The activity of ADA was determined spectrophotometrically by monitoring the change in absorbance at 262 nm, due to the deamination of adenosine catal...				J Med Chem 52: 1681-92 (2009) Article DOI: 10.1021/jm801427r BindingDB Entry DOI: 10.7270/Q29K48J8
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM28393 ((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...) Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	1.14E+3	-34.5	n/a	n/a	n/a	n/a	n/a	7.2	30
Universita di Pisa					Assay Description The activity of ADA was determined spectrophotometrically by monitoring the change in absorbance at 262 nm, due to the deamination of adenosine catal...				J Med Chem 52: 1681-92 (2009) Article DOI: 10.1021/jm801427r BindingDB Entry DOI: 10.7270/Q29K48J8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine deaminase (Bos taurus (bovine))	BDBM28387 (1-(4-fluorophenyl)-3-[4-({4-oxo-2H,4H,5H-pyrazolo[...) Show SMILES Fc1ccc(NC(=O)Nc2ccc(Cn3cc4c(n3)nc[nH]c4=O)cc2)cc1 Show InChI InChI=1S/C19H15FN6O2/c20-13-3-7-15(8-4-13)24-19(28)23-14-5-1-12(2-6-14)9-26-10-16-17(25-26)21-11-22-18(16)27/h1-8,10-11H,9H2,(H2,23,24,28)(H,21,22,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.15E+3	-34.5	n/a	n/a	n/a	n/a	n/a	7.2	30
Universita di Pisa					Assay Description The activity of ADA was determined spectrophotometrically by monitoring the change in absorbance at 262 nm, due to the deamination of adenosine catal...				J Med Chem 52: 1681-92 (2009) Article DOI: 10.1021/jm801427r BindingDB Entry DOI: 10.7270/Q29K48J8
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM28389 (1-[4-(dimethylamino)phenyl]-3-[4-({4-oxo-2H,4H,5H-...) Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(Cn3cc4c(n3)nc[nH]c4=O)cc2)cc1 Show InChI InChI=1S/C21H21N7O2/c1-27(2)17-9-7-16(8-10-17)25-21(30)24-15-5-3-14(4-6-15)11-28-12-18-19(26-28)22-13-23-20(18)29/h3-10,12-13H,11H2,1-2H3,(H2,24,25,30)(H,22,23,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.01E+3	-33.1	n/a	n/a	n/a	n/a	n/a	7.2	30
Universita di Pisa					Assay Description The activity of ADA was determined spectrophotometrically by monitoring the change in absorbance at 262 nm, due to the deamination of adenosine catal...				J Med Chem 52: 1681-92 (2009) Article DOI: 10.1021/jm801427r BindingDB Entry DOI: 10.7270/Q29K48J8
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM28385 (3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-y...) Show SMILES O=C(Nc1ccccc1)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1 Show InChI InChI=1S/C19H16N6O2/c26-18-16-11-25(24-17(16)20-12-21-18)10-13-6-8-15(9-7-13)23-19(27)22-14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H2,22,23,27)(H,20,21,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.42E+3	-32.6	n/a	n/a	n/a	n/a	n/a	7.2	30
Universita di Pisa					Assay Description The activity of ADA was determined spectrophotometrically by monitoring the change in absorbance at 262 nm, due to the deamination of adenosine catal...				J Med Chem 52: 1681-92 (2009) Article DOI: 10.1021/jm801427r BindingDB Entry DOI: 10.7270/Q29K48J8
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM28380 (N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-y...) Show SMILES O=C(Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1)c1ccccc1 Show InChI InChI=1S/C19H15N5O2/c25-18(14-4-2-1-3-5-14)22-15-8-6-13(7-9-15)10-24-11-16-17(23-24)20-12-21-19(16)26/h1-9,11-12H,10H2,(H,22,25)(H,20,21,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.27E+4	-28.4	n/a	n/a	n/a	n/a	n/a	7.2	30
Universita di Pisa					Assay Description The activity of ADA was determined spectrophotometrically by monitoring the change in absorbance at 262 nm, due to the deamination of adenosine catal...				J Med Chem 52: 1681-92 (2009) Article DOI: 10.1021/jm801427r BindingDB Entry DOI: 10.7270/Q29K48J8
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM28381 (4-methoxy-N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyr...) Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1 Show InChI InChI=1S/C20H17N5O3/c1-28-16-8-4-14(5-9-16)19(26)23-15-6-2-13(3-7-15)10-25-11-17-18(24-25)21-12-22-20(17)27/h2-9,11-12H,10H2,1H3,(H,23,26)(H,21,22,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.56E+4	-27.9	n/a	n/a	n/a	n/a	n/a	7.2	30
Universita di Pisa					Assay Description The activity of ADA was determined spectrophotometrically by monitoring the change in absorbance at 262 nm, due to the deamination of adenosine catal...				J Med Chem 52: 1681-92 (2009) Article DOI: 10.1021/jm801427r BindingDB Entry DOI: 10.7270/Q29K48J8
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM28386 (1-(4-methoxyphenyl)-3-[4-({4-oxo-2H,4H,5H-pyrazolo...) Show SMILES COc1ccc(NC(=O)Nc2ccc(Cn3cc4c(n3)nc[nH]c4=O)cc2)cc1 Show InChI InChI=1S/C20H18N6O3/c1-29-16-8-6-15(7-9-16)24-20(28)23-14-4-2-13(3-5-14)10-26-11-17-18(25-26)21-12-22-19(17)27/h2-9,11-12H,10H2,1H3,(H2,23,24,28)(H,21,22,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.83E+4	-26.4	n/a	n/a	n/a	n/a	n/a	7.2	30
Universita di Pisa					Assay Description The activity of ADA was determined spectrophotometrically by monitoring the change in absorbance at 262 nm, due to the deamination of adenosine catal...				J Med Chem 52: 1681-92 (2009) Article DOI: 10.1021/jm801427r BindingDB Entry DOI: 10.7270/Q29K48J8
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM28384 (N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-y...) Show SMILES O=C(Cc1ccccc1)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1 Show InChI InChI=1S/C20H17N5O2/c26-18(10-14-4-2-1-3-5-14)23-16-8-6-15(7-9-16)11-25-12-17-19(24-25)21-13-22-20(17)27/h1-9,12-13H,10-11H2,(H,23,26)(H,21,22,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.79E+4	-25.1	n/a	n/a	n/a	n/a	n/a	7.2	30
Universita di Pisa					Assay Description The activity of ADA was determined spectrophotometrically by monitoring the change in absorbance at 262 nm, due to the deamination of adenosine catal...				J Med Chem 52: 1681-92 (2009) Article DOI: 10.1021/jm801427r BindingDB Entry DOI: 10.7270/Q29K48J8
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM28392 (1-benzyl-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyri...) Show SMILES O=C(NCc1ccccc1)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1 Show InChI InChI=1S/C20H18N6O2/c27-19-17-12-26(25-18(17)22-13-23-19)11-15-6-8-16(9-7-15)24-20(28)21-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H2,21,24,28)(H,22,23,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.57E+4	-23.6	n/a	n/a	n/a	n/a	n/a	7.2	30
Universita di Pisa					Assay Description The activity of ADA was determined spectrophotometrically by monitoring the change in absorbance at 262 nm, due to the deamination of adenosine catal...				J Med Chem 52: 1681-92 (2009) Article DOI: 10.1021/jm801427r BindingDB Entry DOI: 10.7270/Q29K48J8
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM28391 (1-[4-(benzyloxy)phenyl]-3-[4-({4-oxo-2H,4H,5H-pyra...) Show SMILES O=C(Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1)Nc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C26H22N6O3/c33-25-23-15-32(31-24(23)27-17-28-25)14-18-6-8-20(9-7-18)29-26(34)30-21-10-12-22(13-11-21)35-16-19-4-2-1-3-5-19/h1-13,15,17H,14,16H2,(H2,29,30,34)(H,27,28,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.08E+5	-23.0	n/a	n/a	n/a	n/a	n/a	7.2	30
Universita di Pisa					Assay Description The activity of ADA was determined spectrophotometrically by monitoring the change in absorbance at 262 nm, due to the deamination of adenosine catal...				J Med Chem 52: 1681-92 (2009) Article DOI: 10.1021/jm801427r BindingDB Entry DOI: 10.7270/Q29K48J8
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM28390 (1-(4-benzylphenyl)-3-[4-({4-oxo-2H,4H,5H-pyrazolo[...) Show SMILES O=C(Nc1ccc(Cc2ccccc2)cc1)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1 Show InChI InChI=1S/C26H22N6O2/c33-25-23-16-32(31-24(23)27-17-28-25)15-20-8-12-22(13-9-20)30-26(34)29-21-10-6-19(7-11-21)14-18-4-2-1-3-5-18/h1-13,16-17H,14-15H2,(H2,29,30,34)(H,27,28,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.86E+5	-21.6	n/a	n/a	n/a	n/a	n/a	7.2	30
Universita di Pisa					Assay Description The activity of ADA was determined spectrophotometrically by monitoring the change in absorbance at 262 nm, due to the deamination of adenosine catal...				J Med Chem 52: 1681-92 (2009) Article DOI: 10.1021/jm801427r BindingDB Entry DOI: 10.7270/Q29K48J8
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM28379 (2-undecyl-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one ...) Show SMILES CCCCCCCCCCCn1cc2c(n1)nc[nH]c2=O Show InChI InChI=1S/C16H26N4O/c1-2-3-4-5-6-7-8-9-10-11-20-12-14-15(19-20)17-13-18-16(14)21/h12-13H,2-11H2,1H3,(H,17,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.2	30
Universita di Pisa					Assay Description The activity of ADA was determined spectrophotometrically by monitoring the change in absorbance at 262 nm, due to the deamination of adenosine catal...				J Med Chem 52: 1681-92 (2009) Article DOI: 10.1021/jm801427r BindingDB Entry DOI: 10.7270/Q29K48J8
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM28378 (2-decyl-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one | ...) Show SMILES CCCCCCCCCCn1cc2c(n1)nc[nH]c2=O Show InChI InChI=1S/C15H24N4O/c1-2-3-4-5-6-7-8-9-10-19-11-13-14(18-19)16-12-17-15(13)20/h11-12H,2-10H2,1H3,(H,16,17,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.2	30
Universita di Pisa					Assay Description The activity of ADA was determined spectrophotometrically by monitoring the change in absorbance at 262 nm, due to the deamination of adenosine catal...				J Med Chem 52: 1681-92 (2009) Article DOI: 10.1021/jm801427r BindingDB Entry DOI: 10.7270/Q29K48J8
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM28377 (2-nonyl-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one | ...) Show SMILES CCCCCCCCCn1cc2c(n1)nc[nH]c2=O Show InChI InChI=1S/C14H22N4O/c1-2-3-4-5-6-7-8-9-18-10-12-13(17-18)15-11-16-14(12)19/h10-11H,2-9H2,1H3,(H,15,16,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.2	30
Universita di Pisa					Assay Description The activity of ADA was determined spectrophotometrically by monitoring the change in absorbance at 262 nm, due to the deamination of adenosine catal...				J Med Chem 52: 1681-92 (2009) Article DOI: 10.1021/jm801427r BindingDB Entry DOI: 10.7270/Q29K48J8
					More data for this Ligand-Target Pair
Adenosine deaminase (Homo sapiens (Human))	BDBM22925 ((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12 |c:17| Show InChI InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.0330	-59.2	n/a	n/a	n/a	n/a	n/a	7.4	22
Fujisawa Pharmaceutical Co., Ltd.					Assay Description The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by a...				Bioorg Med Chem Lett 13: 1115-8 (2003) Article DOI: 10.1016/S0960-894X(03)00026-X BindingDB Entry DOI: 10.7270/Q29Z936D
					More data for this Ligand-Target Pair
Adenosine deaminase (Homo sapiens (Human))	BDBM22947 (1-[(2R)-4-{5-[3-(4-chlorophenyl)propoxy]-1-methyl-...) Show SMILES Cn1cc(CC[C@H](CO)n2cnc(c2)C(N)=O)c2cc(OCCCc3ccc(Cl)cc3)ccc12 |r| Show InChI InChI=1S/C26H29ClN4O3/c1-30-14-19(6-9-21(16-32)31-15-24(26(28)33)29-17-31)23-13-22(10-11-25(23)30)34-12-2-3-18-4-7-20(27)8-5-18/h4-5,7-8,10-11,13-15,17,21,32H,2-3,6,9,12,16H2,1H3,(H2,28,33)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	-47.0	n/a	n/a	n/a	n/a	n/a	7.4	22
Fujisawa Pharmaceutical Co., Ltd.					Assay Description The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by a...				J Med Chem 47: 3730-43 (2004) Article DOI: 10.1021/jm0306374 BindingDB Entry DOI: 10.7270/Q2668BG0
					More data for this Ligand-Target Pair
Adenosine deaminase (Homo sapiens (Human))	BDBM22937 (1-[(2R)-4-{6-[(benzylcarbamoyl)amino]-1H-indol-1-y...) Show SMILES NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)NCc3ccccc3)cc12 |r| Show InChI InChI=1S/C24H26N6O3/c25-23(32)21-14-30(16-27-21)20(15-31)9-11-29-10-8-18-6-7-19(12-22(18)29)28-24(33)26-13-17-4-2-1-3-5-17/h1-8,10,12,14,16,20,31H,9,11,13,15H2,(H2,25,32)(H2,26,28,33)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	7.5	-45.9	n/a	n/a	n/a	n/a	n/a	7.4	22
Fujisawa Pharmaceutical Co., Ltd.					Assay Description The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by a...				J Med Chem 47: 3730-43 (2004) Article DOI: 10.1021/jm0306374 BindingDB Entry DOI: 10.7270/Q2668BG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine deaminase (Homo sapiens (Human))	BDBM22920 (1-[(2R)-1-hydroxy-4-{6-[3-(1-methyl-1H-1,3-benzodi...) Show SMILES Cn1c(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(c4)C(N)=O)c3c2)nc2ccccc12 |r| Show InChI InChI=1S/C27H29N7O3/c1-32-23-5-3-2-4-21(23)31-25(32)8-9-26(36)30-19-7-6-18-10-12-33(24(18)14-19)13-11-20(16-35)34-15-22(27(28)37)29-17-34/h2-7,10,12,14-15,17,20,35H,8-9,11,13,16H2,1H3,(H2,28,37)(H,30,36)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	7.70	-45.8	n/a	n/a	n/a	n/a	n/a	7.4	22
Fujisawa Pharmaceutical Co., Ltd.					Assay Description The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by a...				J Med Chem 47: 2728-31 (2004) Article DOI: 10.1021/jm0499559 BindingDB Entry DOI: 10.7270/Q22F7KQT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine deaminase (Homo sapiens (Human))	BDBM22920 (1-[(2R)-1-hydroxy-4-{6-[3-(1-methyl-1H-1,3-benzodi...) Show SMILES Cn1c(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(c4)C(N)=O)c3c2)nc2ccccc12 |r| Show InChI InChI=1S/C27H29N7O3/c1-32-23-5-3-2-4-21(23)31-25(32)8-9-26(36)30-19-7-6-18-10-12-33(24(18)14-19)13-11-20(16-35)34-15-22(27(28)37)29-17-34/h2-7,10,12,14-15,17,20,35H,8-9,11,13,16H2,1H3,(H2,28,37)(H,30,36)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	7.70	-45.8	n/a	n/a	n/a	n/a	n/a	7.4	22
Fujisawa Pharmaceutical Co., Ltd.					Assay Description The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by a...				J Am Chem Soc 126: 34-5 (2004) Article DOI: 10.1021/ja038606l BindingDB Entry DOI: 10.7270/Q2FQ9TWW
					More data for this Ligand-Target Pair				3D Structure (crystal)

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