Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'abushanab' and Initial = 'e'   

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))	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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PubMed	0.00250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Binding affinity (Ki) at calf intestinal adenosine deaminase.				J Med Chem 35: 4180-4 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q2SQ9118
					More data for this Ligand-Target Pair
Adenosine deaminase (Homo sapiens (Human))	BDBM50367032 (COFORMYCIN) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12 |r,c:18| Show InChI InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6-,8-,9-,11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of adenosine deaminase				J Med Chem 24: 1383-5 (1982) BindingDB Entry DOI: 10.7270/Q22N52T8
					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 PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of adenosine deaminase				J Med Chem 24: 1383-5 (1982) BindingDB Entry DOI: 10.7270/Q22N52T8
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50070641 ((2S,3R)-3-(6-Amino-purin-9-yl)-6-o-tolyl-hexan-2-o...) Show SMILES C[C@H](O)[C@@H](CCCc1ccccc1C)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C18H23N5O/c1-12-6-3-4-7-14(12)8-5-9-15(13(2)24)23-11-22-16-17(19)20-10-21-18(16)23/h3-4,6-7,10-11,13,15,24H,5,8-9H2,1-2H3,(H2,19,20,21)/t13-,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Inhibition of Adenosine deaminase (ADA) of calf intestine				J Med Chem 43: 4694-700 (2001) BindingDB Entry DOI: 10.7270/Q2KD1ZM2
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50070641 ((2S,3R)-3-(6-Amino-purin-9-yl)-6-o-tolyl-hexan-2-o...) Show SMILES C[C@H](O)[C@@H](CCCc1ccccc1C)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C18H23N5O/c1-12-6-3-4-7-14(12)8-5-9-15(13(2)24)23-11-22-16-17(19)20-10-21-18(16)23/h3-4,6-7,10-11,13,15,24H,5,8-9H2,1-2H3,(H2,19,20,21)/t13-,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA)				Bioorg Med Chem Lett 8: 1639-42 (1999) BindingDB Entry DOI: 10.7270/Q2M044JJ
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50070646 ((2S,3R)-3-(6-Amino-purin-9-yl)-7-phenyl-heptan-2-o...) Show SMILES C[C@H](O)[C@@H](CCCCc1ccccc1)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C18H23N5O/c1-13(24)15(10-6-5-9-14-7-3-2-4-8-14)23-12-22-16-17(19)20-11-21-18(16)23/h2-4,7-8,11-13,15,24H,5-6,9-10H2,1H3,(H2,19,20,21)/t13-,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA)				Bioorg Med Chem Lett 8: 1639-42 (1999) BindingDB Entry DOI: 10.7270/Q2M044JJ
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50070646 ((2S,3R)-3-(6-Amino-purin-9-yl)-7-phenyl-heptan-2-o...) Show SMILES C[C@H](O)[C@@H](CCCCc1ccccc1)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C18H23N5O/c1-13(24)15(10-6-5-9-14-7-3-2-4-8-14)23-12-22-16-17(19)20-11-21-18(16)23/h2-4,7-8,11-13,15,24H,5-6,9-10H2,1H3,(H2,19,20,21)/t13-,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Inhibition of Adenosine deaminase (ADA) of calf intestine				J Med Chem 43: 4694-700 (2001) BindingDB Entry DOI: 10.7270/Q2KD1ZM2
					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 PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Tested for binding affinity against calf intestinal Adenosine Deaminase (ADA)				J Med Chem 37: 3844-9 (1994) BindingDB Entry DOI: 10.7270/Q2FT8K2W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine deaminase (Bos taurus (bovine))	BDBM50070642 ((2S,3R)-3-(6-Amino-purin-9-yl)-6-phenyl-hexan-2-ol...) Show SMILES C[C@H](O)[C@@H](CCCc1ccccc1)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C17H21N5O/c1-12(23)14(9-5-8-13-6-3-2-4-7-13)22-11-21-15-16(18)19-10-20-17(15)22/h2-4,6-7,10-12,14,23H,5,8-9H2,1H3,(H2,18,19,20)/t12-,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Inhibition of Adenosine deaminase (ADA) of calf intestine				J Med Chem 43: 4694-700 (2001) BindingDB Entry DOI: 10.7270/Q2KD1ZM2
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50070642 ((2S,3R)-3-(6-Amino-purin-9-yl)-6-phenyl-hexan-2-ol...) Show SMILES C[C@H](O)[C@@H](CCCc1ccccc1)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C17H21N5O/c1-12(23)14(9-5-8-13-6-3-2-4-7-13)22-11-21-15-16(18)19-10-20-17(15)22/h2-4,6-7,10-12,14,23H,5,8-9H2,1H3,(H2,18,19,20)/t12-,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA)				Bioorg Med Chem Lett 8: 1639-42 (1999) BindingDB Entry DOI: 10.7270/Q2M044JJ
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50070645 ((2S,3R)-3-(6-Amino-purin-9-yl)-8-phenyl-octan-2-ol...) Show SMILES C[C@H](O)[C@@H](CCCCCc1ccccc1)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C19H25N5O/c1-14(25)16(11-7-3-6-10-15-8-4-2-5-9-15)24-13-23-17-18(20)21-12-22-19(17)24/h2,4-5,8-9,12-14,16,25H,3,6-7,10-11H2,1H3,(H2,20,21,22)/t14-,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Inhibition of Adenosine deaminase (ADA) of calf intestine				J Med Chem 43: 4694-700 (2001) BindingDB Entry DOI: 10.7270/Q2KD1ZM2
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50070645 ((2S,3R)-3-(6-Amino-purin-9-yl)-8-phenyl-octan-2-ol...) Show SMILES C[C@H](O)[C@@H](CCCCCc1ccccc1)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C19H25N5O/c1-14(25)16(11-7-3-6-10-15-8-4-2-5-9-15)24-13-23-17-18(20)21-12-22-19(17)24/h2,4-5,8-9,12-14,16,25H,3,6-7,10-11H2,1H3,(H2,20,21,22)/t14-,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA)				Bioorg Med Chem Lett 8: 1639-42 (1999) BindingDB Entry DOI: 10.7270/Q2M044JJ
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50070643 ((2S,3R)-3-(6-Amino-purin-9-yl)-5-m-tolyl-pentan-2-...) Show SMILES C[C@H](O)[C@@H](CCc1cccc(C)c1)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C17H21N5O/c1-11-4-3-5-13(8-11)6-7-14(12(2)23)22-10-21-15-16(18)19-9-20-17(15)22/h3-5,8-10,12,14,23H,6-7H2,1-2H3,(H2,18,19,20)/t12-,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA)				Bioorg Med Chem Lett 8: 1639-42 (1999) BindingDB Entry DOI: 10.7270/Q2M044JJ
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50070643 ((2S,3R)-3-(6-Amino-purin-9-yl)-5-m-tolyl-pentan-2-...) Show SMILES C[C@H](O)[C@@H](CCc1cccc(C)c1)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C17H21N5O/c1-11-4-3-5-13(8-11)6-7-14(12(2)23)22-10-21-15-16(18)19-9-20-17(15)22/h3-5,8-10,12,14,23H,6-7H2,1-2H3,(H2,18,19,20)/t12-,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Inhibition of Adenosine deaminase (ADA) of calf intestine				J Med Chem 43: 4694-700 (2001) BindingDB Entry DOI: 10.7270/Q2KD1ZM2
					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	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against adenosine deaminase in calf intestinal mucosa.				Bioorg Med Chem Lett 6: 2417-2420 (1996) Article DOI: 10.1016/0960-894X(96)00439-8 BindingDB Entry DOI: 10.7270/Q2PK0G3T
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 PubMed	1.13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Inhibition of Adenosine deaminase (ADA) of calf intestine				J Med Chem 43: 4694-700 (2001) BindingDB Entry DOI: 10.7270/Q2KD1ZM2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine deaminase (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of adenosine deaminase				J Med Chem 24: 1383-5 (1982) BindingDB Entry DOI: 10.7270/Q22N52T8
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA)				Bioorg Med Chem Lett 8: 1639-42 (1999) BindingDB Entry DOI: 10.7270/Q2M044JJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Binding affinity (Ki) at calf intestinal Adenosine deaminase				J Med Chem 35: 4180-4 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q2SQ9118
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine deaminase (Bos taurus (bovine))	BDBM50288072 ((Z)-(2S,3R)-3-(6-Amino-purin-9-yl)-non-5-en-2-ol |...) Show SMILES CCC\C=C/C[C@H]([C@H](C)O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C14H21N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h5-6,8-11,20H,3-4,7H2,1-2H3,(H2,15,16,17)/b6-5-/t10-,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against adenosine deaminase in calf intestinal mucosa.				Bioorg Med Chem Lett 6: 2417-2420 (1996) Article DOI: 10.1016/0960-894X(96)00439-8 BindingDB Entry DOI: 10.7270/Q2PK0G3T
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50288072 ((Z)-(2S,3R)-3-(6-Amino-purin-9-yl)-non-5-en-2-ol |...) Show SMILES CCC\C=C/C[C@H]([C@H](C)O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C14H21N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h5-6,8-11,20H,3-4,7H2,1-2H3,(H2,15,16,17)/b6-5-/t10-,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Inhibition of Adenosine deaminase (ADA) of calf intestine				J Med Chem 43: 4694-700 (2001) BindingDB Entry DOI: 10.7270/Q2KD1ZM2
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50037903 (6-Amino-9-hydroxy-9-[(R)-1-((S)-1-hydroxy-ethyl)-h...) Show SMILES CCCCCC[C@H]([C@H](C)O)[N+]1([O-])C=Nc2c1ncnc2N |c:12| Show InChI InChI=1S/C14H23N5O2/c1-3-4-5-6-7-11(10(2)20)19(21)9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+,19?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Tested for binding affinity against calf intestinal Adenosine Deaminase (ADA)				J Med Chem 37: 3844-9 (1994) BindingDB Entry DOI: 10.7270/Q2FT8K2W
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50034908 ((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol | (2...) 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+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Binding affinity (Ki) at calf intestinal adenosine deaminase.				J Med Chem 35: 4180-4 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q2SQ9118
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50044020 ((2R,3R)-3-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-1-f...) Show SMILES CCCCCC[C@H]([C@@H](O)CF)n1cnc2c(N)nccc12 Show InChI InChI=1S/C15H23FN4O/c1-2-3-4-5-6-11(13(21)9-16)20-10-19-14-12(20)7-8-18-15(14)17/h7-8,10-11,13,21H,2-6,9H2,1H3,(H2,17,18)/t11-,13+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Compound was tested for the inhibition of adenosine deaminase from calf intestinal mucosa				J Med Chem 37: 305-8 (1994) BindingDB Entry DOI: 10.7270/Q2D50M1Z
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50044019 ((2S,3R)-3-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-non...) Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)nccc12 Show InChI InChI=1S/C15H24N4O/c1-3-4-5-6-7-12(11(2)20)19-10-18-14-13(19)8-9-17-15(14)16/h8-12,20H,3-7H2,1-2H3,(H2,16,17)/t11-,12+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Compound was tested for the inhibition of adenosine deaminase from calf intestinal mucosa				J Med Chem 37: 305-8 (1994) BindingDB Entry DOI: 10.7270/Q2D50M1Z
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50037902 (6-Amino-9-[(R)-1-((S)-1-hydroxy-ethyl)-heptyl]-9H-...) Show SMILES CCCCCC[C@H]([C@H](C)O)n1c2ncnc(N)c2[nH]c1=O Show InChI InChI=1S/C14H23N5O2/c1-3-4-5-6-7-10(9(2)20)19-13-11(18-14(19)21)12(15)16-8-17-13/h8-10,20H,3-7H2,1-2H3,(H,18,21)(H2,15,16,17)/t9-,10+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Tested for binding affinity against calf intestinal Adenosine Deaminase (ADA)				J Med Chem 37: 3844-9 (1994) BindingDB Entry DOI: 10.7270/Q2FT8K2W
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50037904 (6-Amino-8,9-dihydroxy-9-[(R)-1-((S)-1-hydroxy-ethy...) Show SMILES CCCCCCC(C(C)O)[N+]1([O-])C([O-])=[NH+]c2c1ncnc2N |c:13| Show InChI InChI=1S/C14H23N5O3/c1-3-4-5-6-7-10(9(2)20)19(22)13-11(18-14(19)21)12(15)16-8-17-13/h8-10,20H,3-7H2,1-2H3,(H,18,21)(H2,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Tested for binding affinity against calf intestinal Adenosine Deaminase (ADA)				J Med Chem 37: 3844-9 (1994) BindingDB Entry DOI: 10.7270/Q2FT8K2W
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50003610 (2-(6-Amino-purin-9-yl)-octan-1-ol | CHEMBL335918) Show SMILES CCCCCC[C@H](CO)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C13H21N5O/c1-2-3-4-5-6-10(7-19)18-9-17-11-12(14)15-8-16-13(11)18/h8-10,19H,2-7H2,1H3,(H2,14,15,16)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Binding affinity (Ki) at calf intestinal Adenosine deaminase				J Med Chem 35: 4180-4 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q2SQ9118
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50288073 ((E)-(2S,3R)-3-(6-Amino-purin-9-yl)-non-5-en-2-ol |...) Show SMILES CCC\C=C\C[C@H]([C@H](C)O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C14H21N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h5-6,8-11,20H,3-4,7H2,1-2H3,(H2,15,16,17)/b6-5+/t10-,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Inhibition of Adenosine deaminase (ADA) of calf intestine				J Med Chem 43: 4694-700 (2001) BindingDB Entry DOI: 10.7270/Q2KD1ZM2
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50288073 ((E)-(2S,3R)-3-(6-Amino-purin-9-yl)-non-5-en-2-ol |...) Show SMILES CCC\C=C\C[C@H]([C@H](C)O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C14H21N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h5-6,8-11,20H,3-4,7H2,1-2H3,(H2,15,16,17)/b6-5+/t10-,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against adenosine deaminase in calf intestinal mucosa.				Bioorg Med Chem Lett 6: 2417-2420 (1996) Article DOI: 10.1016/0960-894X(96)00439-8 BindingDB Entry DOI: 10.7270/Q2PK0G3T
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50003609 (3-(6-Amino-purin-9-yl)-nonane-1,2-diol | CHEMBL132...) Show SMILES CCCCCC[C@H]([C@@H](O)CO)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C14H23N5O2/c1-2-3-4-5-6-10(11(21)7-20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20-21H,2-7H2,1H3,(H2,15,16,17)/t10-,11+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Binding affinity (Ki) at calf intestinal Adenosine deaminase				J Med Chem 35: 4180-4 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q2SQ9118
					More data for this Ligand-Target Pair
Adenosine deaminase (Homo sapiens (Human))	BDBM50404651 (CHEMBL1555103) 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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of adenosine deaminase				J Med Chem 24: 1383-5 (1982) BindingDB Entry DOI: 10.7270/Q22N52T8
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50094662 (3-(6-Amino-purin-9-yl)-4-phenethyloxy-butan-2-ol) Show SMILES C[C@H](O)C(COCCc1ccccc1)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C17H21N5O2/c1-12(23)14(9-24-8-7-13-5-3-2-4-6-13)22-11-21-15-16(18)19-10-20-17(15)22/h2-6,10-12,14,23H,7-9H2,1H3,(H2,18,19,20)/t12-,14?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	93.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Inhibition of Adenosine deaminase (ADA) of calf intestine				J Med Chem 43: 4694-700 (2001) BindingDB Entry DOI: 10.7270/Q2KD1ZM2
					More data for this Ligand-Target Pair
Adenosine deaminase (Homo sapiens (Human))	BDBM50404652 (CHEMBL2114367) 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-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of adenosine deaminase				J Med Chem 24: 1383-5 (1982) BindingDB Entry DOI: 10.7270/Q22N52T8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine deaminase (Bos taurus (bovine))	BDBM50094663 (3-(6-Amino-purin-9-yl)-4-butoxy-butan-2-ol) Show SMILES CCCCOCC([C@H](C)O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C13H21N5O2/c1-3-4-5-20-6-10(9(2)19)18-8-17-11-12(14)15-7-16-13(11)18/h7-10,19H,3-6H2,1-2H3,(H2,14,15,16)/t9-,10?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Inhibition of Adenosine deaminase (ADA) of calf intestine				J Med Chem 43: 4694-700 (2001) BindingDB Entry DOI: 10.7270/Q2KD1ZM2
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50070644 ((2S,3R)-3-(6-Amino-purin-9-yl)-4-(3-ethyl-phenyl)-...) Show SMILES CCc1cccc(C[C@H]([C@H](C)O)n2cnc3c(N)ncnc23)c1 Show InChI InChI=1S/C17H21N5O/c1-3-12-5-4-6-13(7-12)8-14(11(2)23)22-10-21-15-16(18)19-9-20-17(15)22/h4-7,9-11,14,23H,3,8H2,1-2H3,(H2,18,19,20)/t11-,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Inhibition of Adenosine deaminase (ADA) of calf intestine				J Med Chem 43: 4694-700 (2001) BindingDB Entry DOI: 10.7270/Q2KD1ZM2
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50070644 ((2S,3R)-3-(6-Amino-purin-9-yl)-4-(3-ethyl-phenyl)-...) Show SMILES CCc1cccc(C[C@H]([C@H](C)O)n2cnc3c(N)ncnc23)c1 Show InChI InChI=1S/C17H21N5O/c1-3-12-5-4-6-13(7-12)8-14(11(2)23)22-10-21-15-16(18)19-9-20-17(15)22/h4-7,9-11,14,23H,3,8H2,1-2H3,(H2,18,19,20)/t11-,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA)				Bioorg Med Chem Lett 8: 1639-42 (1999) BindingDB Entry DOI: 10.7270/Q2M044JJ
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50288071 ((2S,3R)-3-(6-Amino-purin-9-yl)-non-5-yn-2-ol | 3-(...) Show SMILES CCCC#CC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C14H19N5O/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,3-4,7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Inhibition of Adenosine deaminase (ADA) of calf intestine				J Med Chem 43: 4694-700 (2001) BindingDB Entry DOI: 10.7270/Q2KD1ZM2
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50288071 ((2S,3R)-3-(6-Amino-purin-9-yl)-non-5-yn-2-ol | 3-(...) Show SMILES CCCC#CC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C14H19N5O/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,3-4,7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against adenosine deaminase in calf intestinal mucosa.				Bioorg Med Chem Lett 6: 2417-2420 (1996) Article DOI: 10.1016/0960-894X(96)00439-8 BindingDB Entry DOI: 10.7270/Q2PK0G3T
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50070640 ((2S,3R)-3-(6-Amino-purin-9-yl)-4-p-tolyl-butan-2-o...) Show SMILES C[C@H](O)[C@@H](Cc1ccc(C)cc1)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C16H19N5O/c1-10-3-5-12(6-4-10)7-13(11(2)22)21-9-20-14-15(17)18-8-19-16(14)21/h3-6,8-9,11,13,22H,7H2,1-2H3,(H2,17,18,19)/t11-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Inhibition of Adenosine deaminase (ADA) of calf intestine				J Med Chem 43: 4694-700 (2001) BindingDB Entry DOI: 10.7270/Q2KD1ZM2
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50422343 (CHEMBL2310914) Show SMILES CCCc1ccccc1CC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C19H25N5O/c1-3-6-14-7-4-5-8-15(14)9-10-16(13(2)25)24-12-23-17-18(20)21-11-22-19(17)24/h4-5,7-8,11-13,16,25H,3,6,9-10H2,1-2H3,(H2,20,21,22)/t13-,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Inhibition of Adenosine deaminase (ADA) of calf intestine				J Med Chem 43: 4694-700 (2001) BindingDB Entry DOI: 10.7270/Q2KD1ZM2
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50422343 (CHEMBL2310914) Show SMILES CCCc1ccccc1CC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C19H25N5O/c1-3-6-14-7-4-5-8-15(14)9-10-16(13(2)25)24-12-23-17-18(20)21-11-22-19(17)24/h4-5,7-8,11-13,16,25H,3,6,9-10H2,1-2H3,(H2,20,21,22)/t13-,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA)				Bioorg Med Chem Lett 8: 1639-42 (1999) BindingDB Entry DOI: 10.7270/Q2M044JJ
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50070640 ((2S,3R)-3-(6-Amino-purin-9-yl)-4-p-tolyl-butan-2-o...) Show SMILES C[C@H](O)[C@@H](Cc1ccc(C)cc1)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C16H19N5O/c1-10-3-5-12(6-4-10)7-13(11(2)22)21-9-20-14-15(17)18-8-19-16(14)21/h3-6,8-9,11,13,22H,7H2,1-2H3,(H2,17,18,19)/t11-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA)				Bioorg Med Chem Lett 8: 1639-42 (1999) BindingDB Entry DOI: 10.7270/Q2M044JJ
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50003606 (9-(1-Chloromethyl-heptyl)-9H-purin-6-ylamine | CHE...) Show SMILES CCCCCC[C@H](CCl)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C13H20ClN5/c1-2-3-4-5-6-10(7-14)19-9-18-11-12(15)16-8-17-13(11)19/h8-10H,2-7H2,1H3,(H2,15,16,17)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Binding affinity (Ki) at calf intestinal adenosine deaminase.				J Med Chem 35: 4180-4 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q2SQ9118
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50044021 ((2R,3R)-3-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-non...) Show SMILES CCCCCC[C@H]([C@@H](O)CO)n1cnc2c(N)nccc12 Show InChI InChI=1S/C15H24N4O2/c1-2-3-4-5-6-11(13(21)9-20)19-10-18-14-12(19)7-8-17-15(14)16/h7-8,10-11,13,20-21H,2-6,9H2,1H3,(H2,16,17)/t11-,13+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	497	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Compound was tested for the inhibition of adenosine deaminase from calf intestinal mucosa				J Med Chem 37: 305-8 (1994) BindingDB Entry DOI: 10.7270/Q2D50M1Z
					More data for this Ligand-Target Pair
Adenosine deaminase (Homo sapiens (Human))	BDBM50034908 ((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol | (2...) 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+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of adenosine deaminase				J Med Chem 24: 1383-5 (1982) BindingDB Entry DOI: 10.7270/Q22N52T8
					More data for this Ligand-Target Pair
Adenosine deaminase (Homo sapiens (Human))	BDBM50034908 ((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol | (2...) 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+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of adenosine deaminase				J Med Chem 24: 1383-5 (1982) BindingDB Entry DOI: 10.7270/Q22N52T8
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50003604 (9-(1-Bromomethyl-heptyl)-9H-purin-6-ylamine | CHEM...) Show SMILES CCCCCC[C@H](CBr)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C13H20BrN5/c1-2-3-4-5-6-10(7-14)19-9-18-11-12(15)16-8-17-13(11)19/h8-10H,2-7H2,1H3,(H2,15,16,17)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Binding affinity (Ki) at calf intestinal adenosine deaminase.				J Med Chem 35: 4180-4 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q2SQ9118
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50003608 (9-(1-Oxiranyl-heptyl)-9H-purin-6-ylamine | CHEMBL1...) Show SMILES CCCCCC[C@H]([C@@H]1CO1)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C14H21N5O/c1-2-3-4-5-6-10(11-7-20-11)19-9-18-12-13(15)16-8-17-14(12)19/h8-11H,2-7H2,1H3,(H2,15,16,17)/t10-,11+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Binding affinity (Ki) at calf intestinal Adenosine deaminase				J Med Chem 35: 4180-4 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q2SQ9118
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50003605 (CHEMBL422438 | Toluene-4-sulfonate8-amino-3-hexyl-...) Show SMILES CCCCCCC1C(O)Cn2cnc(=[NH2+])c3ncn1c23 Show InChI InChI=1S/C14H21N5O/c1-2-3-4-5-6-10-11(20)7-18-8-17-13(15)12-14(18)19(10)9-16-12/h8-11,15,20H,2-7H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Binding affinity (Ki) at calf intestinal adenosine deaminase.				J Med Chem 35: 4180-4 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q2SQ9118
					More data for this Ligand-Target Pair

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