Compile Data Set for Download or QSAR

Found 59 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))	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 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 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	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))	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 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))	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 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 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	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))	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 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))	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 (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 (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 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 GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	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 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 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 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 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 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 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)
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 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 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: 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 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 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))	BDBM22950 (1-[(3R,4S)-4-hydroxy-1-(naphthalen-2-yloxy)pentan-...) Show SMILES C[C@H](O)[C@@H](CCOc1ccc2ccccc2c1)n1cnc(c1)C(N)=O Show InChI InChI=1S/C19H21N3O3/c1-13(23)18(22-11-17(19(20)24)21-12-22)8-9-25-16-7-6-14-4-2-3-5-15(14)10-16/h2-7,10-13,18,23H,8-9H2,1H3,(H2,20,24)/t13-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	9.80	-45.3	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))	BDBM22931 (1-[(2R)-1-hydroxy-4-[6-(5-phenylpentanamido)-1H-in...) Show SMILES NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)CCCCc3ccccc3)cc12 Show InChI InChI=1S/C27H31N5O3/c28-27(35)24-17-32(19-29-24)23(18-33)13-15-31-14-12-21-10-11-22(16-25(21)31)30-26(34)9-5-4-8-20-6-2-1-3-7-20/h1-3,6-7,10-12,14,16-17,19,23,33H,4-5,8-9,13,15,18H2,(H2,28,35)(H,30,34)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	11	-45.0	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				3D Structure (crystal)
Adenosine deaminase (Homo sapiens (human))	BDBM22948 (1-[(1R,2S)-2-hydroxy-1-(2-naphthalen-1-ylethyl)pro...) Show SMILES C[C@H](O)[C@@H](CCc1cccc2ccccc12)n1cnc(c1)C(N)=O Show InChI InChI=1S/C19H21N3O2/c1-13(23)18(22-11-17(19(20)24)21-12-22)10-9-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,11-13,18,23H,9-10H2,1H3,(H2,20,24)/t13-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	11	-45.0	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: 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))	BDBM22939 (1-[(2R)-1-hydroxy-4-[6-(4-phenylbutoxy)-1H-indol-1...) Show SMILES NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(OCCCCc3ccccc3)cc12 Show InChI InChI=1S/C26H30N4O3/c27-26(32)24-17-30(19-28-24)22(18-31)12-14-29-13-11-21-9-10-23(16-25(21)29)33-15-5-4-8-20-6-2-1-3-7-20/h1-3,6-7,9-11,13,16-17,19,22,31H,4-5,8,12,14-15,18H2,(H2,27,32)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	-44.8	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: 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))	BDBM22942 (1-[(2R)-4-{6-[3-(4-chlorophenyl)propoxy]-1H-indol-...) Show SMILES NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(OCCCc3ccc(Cl)cc3)cc12 Show InChI InChI=1S/C25H27ClN4O3/c26-20-6-3-18(4-7-20)2-1-13-33-22-8-5-19-9-11-29(24(19)14-22)12-10-21(16-31)30-15-23(25(27)32)28-17-30/h3-9,11,14-15,17,21,31H,1-2,10,12-13,16H2,(H2,27,32)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	-44.6	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))	BDBM22946 (1-[(2R)-4-[5-(hexyloxy)-1-methyl-1H-indol-3-yl]-1-...) Show SMILES CCCCCCOc1ccc2n(C)cc(CC[C@H](CO)n3cnc(c3)C(N)=O)c2c1 Show InChI InChI=1S/C23H32N4O3/c1-3-4-5-6-11-30-19-9-10-22-20(12-19)17(13-26(22)2)7-8-18(15-28)27-14-21(23(24)29)25-16-27/h9-10,12-14,16,18,28H,3-8,11,15H2,1-2H3,(H2,24,29)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	-44.6	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))	BDBM22949 (1-[(3R,4S)-1-(2,3-dichlorophenyl)-4-hydroxypentan-...) Show SMILES C[C@H](O)[C@@H](CCc1cccc(Cl)c1Cl)n1cnc(c1)C(N)=O Show InChI InChI=1S/C15H17Cl2N3O2/c1-9(21)13(20-7-12(15(18)22)19-8-20)6-5-10-3-2-4-11(16)14(10)17/h2-4,7-9,13,21H,5-6H2,1H3,(H2,18,22)/t9-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	13	-44.6	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))	BDBM22930 (1-[(2R)-1-hydroxy-4-[6-(4-phenylbutanamido)-1H-ind...) Show SMILES NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)CCCc3ccccc3)cc12 Show InChI InChI=1S/C26H29N5O3/c27-26(34)23-16-31(18-28-23)22(17-32)12-14-30-13-11-20-9-10-21(15-24(20)30)29-25(33)8-4-7-19-5-2-1-3-6-19/h1-3,5-6,9-11,13,15-16,18,22,32H,4,7-8,12,14,17H2,(H2,27,34)(H,29,33)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16	-44.0	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))	BDBM22938 (1-[(2R)-1-hydroxy-4-[6-(3-phenylpropoxy)-1H-indol-...) Show SMILES NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(OCCCc3ccccc3)cc12 Show InChI InChI=1S/C25H28N4O3/c26-25(31)23-16-29(18-27-23)21(17-30)11-13-28-12-10-20-8-9-22(15-24(20)28)32-14-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-10,12,15-16,18,21,30H,4,7,11,13-14,17H2,(H2,26,31)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	-43.9	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
Adenosine deaminase (Homo sapiens (human))	BDBM22936 (1-[(2R)-1-hydroxy-4-{6-[3-(pyridin-3-yl)propanamid...) Show SMILES NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)CCc3cccnc3)cc12 Show InChI InChI=1S/C24H26N6O3/c25-24(33)21-14-30(16-27-21)20(15-31)8-11-29-10-7-18-4-5-19(12-22(18)29)28-23(32)6-3-17-2-1-9-26-13-17/h1-2,4-5,7,9-10,12-14,16,20,31H,3,6,8,11,15H2,(H2,25,33)(H,28,32)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	-43.9	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
Adenosine deaminase (Homo sapiens (human))	BDBM22928 (1-[(2R)-4-(6-hexanamido-1H-indol-1-yl)-1-hydroxybu...) Show SMILES CCCCCC(=O)Nc1ccc2ccn(CC[C@H](CO)n3cnc(c3)C(N)=O)c2c1 Show InChI InChI=1S/C22H29N5O3/c1-2-3-4-5-21(29)25-17-7-6-16-8-10-26(20(16)12-17)11-9-18(14-28)27-13-19(22(23)30)24-15-27/h6-8,10,12-13,15,18,28H,2-5,9,11,14H2,1H3,(H2,23,30)(H,25,29)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	24	-43.1	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))	BDBM22945 (1-[(2R)-1-hydroxy-4-[1-methyl-5-(3-phenylpropoxy)-...) Show SMILES Cn1cc(CC[C@H](CO)n2cnc(c2)C(N)=O)c2cc(OCCCc3ccccc3)ccc12 Show InChI InChI=1S/C26H30N4O3/c1-29-15-20(9-10-21(17-31)30-16-24(26(27)32)28-18-30)23-14-22(11-12-25(23)29)33-13-5-8-19-6-3-2-4-7-19/h2-4,6-7,11-12,14-16,18,21,31H,5,8-10,13,17H2,1H3,(H2,27,32)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	26	-42.9	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
Adenosine deaminase (Homo sapiens (human))	BDBM22929 (1-[(2R)-1-hydroxy-4-[6-(3-phenylpropanamido)-1H-in...) Show SMILES NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)CCc3ccccc3)cc12 Show InChI InChI=1S/C25H27N5O3/c26-25(33)22-15-30(17-27-22)21(16-31)11-13-29-12-10-19-7-8-20(14-23(19)29)28-24(32)9-6-18-4-2-1-3-5-18/h1-5,7-8,10,12,14-15,17,21,31H,6,9,11,13,16H2,(H2,26,33)(H,28,32)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	30	-42.5	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))	BDBM22935 (1-[(2R)-1-hydroxy-4-{6-[4-(4-methylphenyl)butanami...) Show SMILES Cc1ccc(CCCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(c4)C(N)=O)c3c2)cc1 Show InChI InChI=1S/C27H31N5O3/c1-19-5-7-20(8-6-19)3-2-4-26(34)30-22-10-9-21-11-13-31(25(21)15-22)14-12-23(17-33)32-16-24(27(28)35)29-18-32/h5-11,13,15-16,18,23,33H,2-4,12,14,17H2,1H3,(H2,28,35)(H,30,34)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	34	-42.2	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...				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))	BDBM22926 (3-(6-amino-9H-purin-9-yl)nonan-2-ol | EHNA | Eryth...) Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)ncnc12 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	37	-42.0	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...				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				3D Structure (crystal)
Adenosine deaminase (Homo sapiens (human))	BDBM22933 (1-[(2R)-1-hydroxy-4-{6-[3-(4-methylphenyl)propanam...) Show SMILES Cc1ccc(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(c4)C(N)=O)c3c2)cc1 Show InChI InChI=1S/C26H29N5O3/c1-18-2-4-19(5-3-18)6-9-25(33)29-21-8-7-20-10-12-30(24(20)14-21)13-11-22(16-32)31-15-23(26(27)34)28-17-31/h2-5,7-8,10,12,14-15,17,22,32H,6,9,11,13,16H2,1H3,(H2,27,34)(H,29,33)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	38	-41.9	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
Adenosine deaminase (Homo sapiens (human))	BDBM22940 (1-[(2R)-4-[6-(hexyloxy)-1H-indol-1-yl]-1-hydroxybu...) Show SMILES CCCCCCOc1ccc2ccn(CC[C@H](CO)n3cnc(c3)C(N)=O)c2c1 Show InChI InChI=1S/C22H30N4O3/c1-2-3-4-5-12-29-19-7-6-17-8-10-25(21(17)13-19)11-9-18(15-27)26-14-20(22(23)28)24-16-26/h6-8,10,13-14,16,18,27H,2-5,9,11-12,15H2,1H3,(H2,23,28)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	55	-41.0	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))	BDBM22934 (1-[(2R)-1-hydroxy-4-{6-[3-(4-methoxyphenyl)propana...) Show SMILES COc1ccc(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(c4)C(N)=O)c3c2)cc1 Show InChI InChI=1S/C26H29N5O4/c1-35-22-7-2-18(3-8-22)4-9-25(33)29-20-6-5-19-10-12-30(24(19)14-20)13-11-21(16-32)31-15-23(26(27)34)28-17-31/h2-3,5-8,10,12,14-15,17,21,32H,4,9,11,13,16H2,1H3,(H2,27,34)(H,29,33)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	57	-40.9	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
Adenosine deaminase (Homo sapiens (human))	BDBM22932 (1-[(2R)-1-hydroxy-4-[6-(6-phenylhexanamido)-1H-ind...) Show SMILES NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)CCCCCc3ccccc3)cc12 Show InChI InChI=1S/C28H33N5O3/c29-28(36)25-18-33(20-30-25)24(19-34)14-16-32-15-13-22-11-12-23(17-26(22)32)31-27(35)10-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,11-13,15,17-18,20,24,34H,2,5-6,9-10,14,16,19H2,(H2,29,36)(H,31,35)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	91	-39.8	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: 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))	BDBM22941 (1-[(2R)-4-(6-butoxy-1H-indol-1-yl)-1-hydroxybutan-...) Show SMILES CCCCOc1ccc2ccn(CC[C@H](CO)n3cnc(c3)C(N)=O)c2c1 Show InChI InChI=1S/C20H26N4O3/c1-2-3-10-27-17-5-4-15-6-8-23(19(15)11-17)9-7-16(13-25)24-12-18(20(21)26)22-14-24/h4-6,8,11-12,14,16,25H,2-3,7,9-10,13H2,1H3,(H2,21,26)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	240	-37.4	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))	BDBM22919 (1-[1-hydroxy-4-(naphthalen-1-yl)butan-2-yl]-1H-imi...) Show SMILES NC(=O)c1cn(cn1)C(CO)CCc1cccc2ccccc12 Show InChI InChI=1S/C18H19N3O2/c19-18(23)17-10-21(12-20-17)15(11-22)9-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,10,12,15,22H,8-9,11H2,(H2,19,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	680	-34.8	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)
Adenosine deaminase (Homo sapiens (human))	BDBM22918 (2-(4-{5-[(1H-1,3-benzodiazol-2-ylamino)methyl]thio...) Show SMILES NC(N)=Nc1nc(cs1)-c1ccc(CNc2nc3ccccc3[nH]2)s1 Show InChI InChI=1S/C16H15N7S2/c17-14(18)23-16-22-12(8-24-16)13-6-5-9(25-13)7-19-15-20-10-3-1-2-4-11(10)21-15/h1-6,8H,7H2,(H2,19,20,21)(H4,17,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	1.20E+3	-33.5	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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