Compile Data Set for Download or QSAR

Found 464 hits of ki data for polymerid = 2222   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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	0.00100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Compound was tested for the inhibition of adenosine deaminase from calf intestine; Range of 0.01-0.001 nM				J Med Chem 37: 201-5 (1994) BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
					More data for this Ligand-Target Pair
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 Article PubMed	0.00100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity towards calf spleen adenosine deaminase was determined				J Med Chem 47: 1044-50 (2004) Article DOI: 10.1021/jm0304257 BindingDB Entry DOI: 10.7270/Q2GM882D
					More data for this Ligand-Target Pair
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 (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	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity towards calf spleen adenosine deaminase was determined				J Med Chem 47: 1044-50 (2004) Article DOI: 10.1021/jm0304257 BindingDB Entry DOI: 10.7270/Q2GM882D
					More data for this Ligand-Target Pair
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	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity against Adenosine deaminase from calf intestinal mucosa was determined				Bioorg Med Chem Lett 11: 2893-6 (2001) BindingDB Entry DOI: 10.7270/Q28K79MD
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50370598 (CHEMBL1651379) Show SMILES CCCCCCCC[C@@H](O)Cn1cc2c(N)ncnc2n1 |r| Show InChI InChI=1S/C15H25N5O/c1-2-3-4-5-6-7-8-12(21)9-20-10-13-14(16)17-11-18-15(13)19-20/h10-12,21H,2-9H2,1H3,(H2,16,17,18,19)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibitory constant against bovine spleen Adenosine deaminase				J Med Chem 48: 5162-74 (2005) Article DOI: 10.1021/jm050136d BindingDB Entry DOI: 10.7270/Q2542PCH
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50171394 (2-Decyl-2H-pyrazolo[3,4-d]pyrimidin-4-ylamine | CH...) Show SMILES CCCCCCCCCCn1cc2c(N)ncnc2n1 Show InChI InChI=1S/C15H25N5/c1-2-3-4-5-6-7-8-9-10-20-11-13-14(16)17-12-18-15(13)19-20/h11-12H,2-10H2,1H3,(H2,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibitory constant against bovine spleen Adenosine deaminase				J Med Chem 48: 5162-74 (2005) Article DOI: 10.1021/jm050136d BindingDB Entry DOI: 10.7270/Q2542PCH
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50171396 (1-((R)-4-Amino-pyrazolo[3,4-d]pyrimidin-2-yl)-deca...) Show SMILES CCCCCCCCC(O)Cn1cc2c(N)ncnc2n1 Show InChI InChI=1S/C15H25N5O/c1-2-3-4-5-6-7-8-12(21)9-20-10-13-14(16)17-11-18-15(13)19-20/h10-12,21H,2-9H2,1H3,(H2,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibitory constant against bovine spleen Adenosine deaminase				J Med Chem 48: 5162-74 (2005) Article DOI: 10.1021/jm050136d BindingDB Entry DOI: 10.7270/Q2542PCH
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50171395 (2-Undecyl-2H-pyrazolo[3,4-d]pyrimidin-4-ylamine | ...) Show SMILES CCCCCCCCCCCn1cc2c(N)ncnc2n1 Show InChI InChI=1S/C16H27N5/c1-2-3-4-5-6-7-8-9-10-11-21-12-14-15(17)18-13-19-16(14)20-21/h12-13H,2-11H2,1H3,(H2,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibitory constant against bovine spleen Adenosine deaminase				J Med Chem 48: 5162-74 (2005) Article DOI: 10.1021/jm050136d BindingDB Entry DOI: 10.7270/Q2542PCH
					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))	BDBM50451174 (CHEMBL4202457) Show SMILES C[C@H](O)[C@@H](CCc1cccc(Br)c1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H18BrN5O/c1-10(23)13(6-5-11-3-2-4-12(17)7-11)22-9-21-14-15(18)19-8-20-16(14)22/h2-4,7-10,13,23H,5-6H2,1H3,(H2,18,19,20)/t10-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					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))	BDBM50410269 (CHEMBL1181766) Show SMILES CCCCCCC(O)Cn1cc2c(N)ncnc2n1 Show InChI InChI=1S/C13H21N5O/c1-2-3-4-5-6-10(19)7-18-8-11-12(14)15-9-16-13(11)17-18/h8-10,19H,2-7H2,1H3,(H2,14,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibitory constant against bovine spleen Adenosine deaminase				J Med Chem 48: 5162-74 (2005) Article DOI: 10.1021/jm050136d BindingDB Entry DOI: 10.7270/Q2542PCH
					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))	BDBM50451177 (CHEMBL4210264) Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)C(F)(F)F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C17H18F3N5O/c1-10(26)13(25-9-24-14-15(21)22-8-23-16(14)25)6-5-11-3-2-4-12(7-11)17(18,19)20/h2-4,7-10,13,26H,5-6H2,1H3,(H2,21,22,23)/t10-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					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	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 (Bos taurus (bovine))	BDBM28393 ((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...) Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	1.14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibitory constant against bovine spleen Adenosine deaminase				J Med Chem 48: 5162-74 (2005) Article DOI: 10.1021/jm050136d BindingDB Entry DOI: 10.7270/Q2542PCH
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit calf intestinal adenosine deaminase (ADA); No data				J Med Chem 25: 603-5 (1982) Checked by Author BindingDB Entry DOI: 10.7270/Q26M35WJ
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451169 (CHEMBL4207346) Show SMILES C[C@H](O)[C@@H](CCc1cccc(F)c1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H18FN5O/c1-10(23)13(6-5-11-3-2-4-12(17)7-11)22-9-21-14-15(18)19-8-20-16(14)22/h2-4,7-10,13,23H,5-6H2,1H3,(H2,18,19,20)/t10-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451140 (CHEMBL4216271) Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)C(=O)N(C)C)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C19H24N6O2/c1-12(26)15(25-11-23-16-17(20)21-10-22-18(16)25)8-7-13-5-4-6-14(9-13)19(27)24(2)3/h4-6,9-12,15,26H,7-8H2,1-3H3,(H2,20,21,22)/t12-,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451139 (CHEMBL4204605) Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)C(=O)NC1CCCC1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C22H28N6O2/c1-14(29)18(28-13-26-19-20(23)24-12-25-21(19)28)10-9-15-5-4-6-16(11-15)22(30)27-17-7-2-3-8-17/h4-6,11-14,17-18,29H,2-3,7-10H2,1H3,(H,27,30)(H2,23,24,25)/t14-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451167 (CHEMBL4206823) Show SMILES C[C@H](O)[C@@H](CCC1CCCCC1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H25N5O/c1-11(22)13(8-7-12-5-3-2-4-6-12)21-10-20-14-15(17)18-9-19-16(14)21/h9-13,22H,2-8H2,1H3,(H2,17,18,19)/t11-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451164 (CHEMBL4208941) Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)-c1cnccn1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H21N7O/c1-13(28)17(27-12-26-18-19(21)24-11-25-20(18)27)6-5-14-3-2-4-15(9-14)16-10-22-7-8-23-16/h2-4,7-13,17,28H,5-6H2,1H3,(H2,21,24,25)/t13-,17+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					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	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))	BDBM50451168 (CHEMBL4211702) Show SMILES CCc1ccc(CC[C@H]([C@H](C)O)n2cnc3c(N)ncnc23)s1 |r| Show InChI InChI=1S/C16H21N5OS/c1-3-11-4-5-12(23-11)6-7-13(10(2)22)21-9-20-14-15(17)18-8-19-16(14)21/h4-5,8-10,13,22H,3,6-7H2,1-2H3,(H2,17,18,19)/t10-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451173 (CHEMBL4214254) Show SMILES COC(=O)c1cccc(CC[C@H]([C@H](C)O)n2cnc3c(N)ncnc23)c1 |r| Show InChI InChI=1S/C18H21N5O3/c1-11(24)14(23-10-22-15-16(19)20-9-21-17(15)23)7-6-12-4-3-5-13(8-12)18(25)26-2/h3-5,8-11,14,24H,6-7H2,1-2H3,(H2,19,20,21)/t11-,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM28393 ((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...) Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine deaminase (Bos taurus (bovine))	BDBM50451138 (CHEMBL4203116) Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)C(=O)N1CCCC1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H26N6O2/c1-14(28)17(27-13-25-18-19(22)23-12-24-20(18)27)8-7-15-5-4-6-16(11-15)21(29)26-9-2-3-10-26/h4-6,11-14,17,28H,2-3,7-10H2,1H3,(H2,22,23,24)/t14-,17+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451165 (CHEMBL4204068) Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)-c1ccccn1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H22N6O/c1-14(28)18(27-13-26-19-20(22)24-12-25-21(19)27)9-8-15-5-4-6-16(11-15)17-7-2-3-10-23-17/h2-7,10-14,18,28H,8-9H2,1H3,(H2,22,24,25)/t14-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451166 (CHEMBL4209345) Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)-c1nccs1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C19H20N6OS/c1-12(26)15(25-11-24-16-17(20)22-10-23-18(16)25)6-5-13-3-2-4-14(9-13)19-21-7-8-27-19/h2-4,7-12,15,26H,5-6H2,1H3,(H2,20,22,23)/t12-,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451141 (CHEMBL4216791) Show SMILES CNC(=O)c1cccc(CC[C@H]([C@H](C)O)n2cnc3c(N)ncnc23)c1 |r| Show InChI InChI=1S/C18H22N6O2/c1-11(25)14(24-10-23-15-16(19)21-9-22-17(15)24)7-6-12-4-3-5-13(8-12)18(26)20-2/h3-5,8-11,14,25H,6-7H2,1-2H3,(H,20,26)(H2,19,21,22)/t11-,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451142 (CHEMBL4211824) Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)C(N)=O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C17H20N6O2/c1-10(24)13(6-5-11-3-2-4-12(7-11)16(19)25)23-9-22-14-15(18)20-8-21-17(14)23/h2-4,7-10,13,24H,5-6H2,1H3,(H2,19,25)(H2,18,20,21)/t10-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					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	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))	BDBM50451158 (CHEMBL4218202) Show SMILES C[C@H](O)[C@@H](CCc1cccc(CO)c1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C17H21N5O2/c1-11(24)14(6-5-12-3-2-4-13(7-12)8-23)22-10-21-15-16(18)19-9-20-17(15)22/h2-4,7,9-11,14,23-24H,5-6,8H2,1H3,(H2,18,19,20)/t11-,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					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))	BDBM50451171 (CHEMBL4214511) Show SMILES C[C@H](O)[C@@H](CCc1ccc(cc1)C(F)(F)F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C17H18F3N5O/c1-10(26)13(25-9-24-14-15(21)22-8-23-16(14)25)7-4-11-2-5-12(6-3-11)17(18,19)20/h2-3,5-6,8-10,13,26H,4,7H2,1H3,(H2,21,22,23)/t10-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451178 (CHEMBL4203469) Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)C(F)(F)F)n1cnc(c1)C(N)=O |r| Show InChI InChI=1S/C16H18F3N3O2/c1-10(23)14(22-8-13(15(20)24)21-9-22)6-5-11-3-2-4-12(7-11)16(17,18)19/h2-4,7-10,14,23H,5-6H2,1H3,(H2,20,24)/t10-,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair

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