Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'stoeckler' and Initial = 'jd'   

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))	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))	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 (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))	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))	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 (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))	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
Adenosine deaminase (Bos taurus (bovine))	BDBM50003607 (9-(1-Azidomethyl-heptyl)-9H-purin-6-ylamine | CHEM...) Show SMILES CCCCCC[C@H](CN=[N+]=[N-])n1cnc2c(N)ncnc12 Show InChI InChI=1S/C13H20N8/c1-2-3-4-5-6-10(7-19-20-15)21-9-18-11-12(14)16-8-17-13(11)21/h8-10H,2-7H2,1H3,(H2,14,16,17)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM50003601 (9-(1-Fluoromethyl-heptyl)-9H-purin-6-ylamine | CHE...) Show SMILES CCCCCC[C@H](CF)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C13H20FN5/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	1.60E+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
Adenosine deaminase (Homo sapiens (Human))	BDBM50368778 (CHEMBL610668) Show SMILES Nc1nncc2n(nnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H12N6O4/c10-8-5-3(1-11-13-8)15(14-12-5)9-7(18)6(17)4(2-16)19-9/h1,4,6-7,9,16-18H,2H2,(H2,10,13)/t4-,6-,7-,9?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.41E+6	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 inhibition against human plasma adenosine deaminase (ADA2)				J Med Chem 36: 4113-20 (1994) BindingDB Entry DOI: 10.7270/Q2B27VXH
					More data for this Ligand-Target Pair
Adenosine deaminase (Homo sapiens (Human))	BDBM14487 ((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PubMed	2.18E+6	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 constant against adenosine deaminase (ADA2) in human plasma				J Med Chem 36: 4113-20 (1994) BindingDB Entry DOI: 10.7270/Q2B27VXH
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem Similars	PubMed	1.00E+9	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 receptor A2a (Homo sapiens (Human))	BDBM14487 ((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB PubMed	n/a	n/a	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Effective concentration required for cyclic AMP dependent inhibition of blood platelet aggregation for A2 receptor stimulation				J Med Chem 36: 4113-20 (1994) BindingDB Entry DOI: 10.7270/Q2B27VXH
					More data for this Ligand-Target Pair				3D Structure (crystal)