Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'moosa' and Initial = 'a'   

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
Polyphenol oxidase 1 (Agaricus bisporus (White button mushroom))	BDBM233016 (p-Xylidine-bis(dithiocarbamate) sodium salt (II)) Show SMILES [S-]C(=S)NCc1ccc(CNC([S-])=S)cc1 Show InChI InChI=1S/C10H12N2S4/c13-9(14)11-5-7-1-2-8(4-3-7)6-12-10(15)16/h1-4H,5-6H2,(H2,11,13,14)(H2,12,15,16)/p-2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	290	-37.6	n/a	n/a	n/a	n/a	n/a	6.8	27
University of Tehran					Assay Description The assay was performed as previously described with slight modifications [Chen et al., J. Agric. Food Chem., 50:4108-12]. The reaction medium was 1 ...				J Enzyme Inhib Med Chem 25: 272-81 (2010) Article DOI: 10.1080/14756360903179351 BindingDB Entry DOI: 10.7270/Q2000101
					More data for this Ligand-Target Pair
Polyphenol oxidase 1 (Agaricus bisporus (White button mushroom))	BDBM233016 (p-Xylidine-bis(dithiocarbamate) sodium salt (II)) Show SMILES [S-]C(=S)NCc1ccc(CNC([S-])=S)cc1 Show InChI InChI=1S/C10H12N2S4/c13-9(14)11-5-7-1-2-8(4-3-7)6-12-10(15)16/h1-4H,5-6H2,(H2,11,13,14)(H2,12,15,16)/p-2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	640	-35.6	n/a	n/a	n/a	n/a	n/a	6.8	27
University of Tehran					Assay Description The assay was performed as previously described with slight modifications [Chen et al., J. Agric. Food Chem., 50:4108-12]. The reaction medium was 1 ...				J Enzyme Inhib Med Chem 25: 272-81 (2010) Article DOI: 10.1080/14756360903179351 BindingDB Entry DOI: 10.7270/Q2000101
					More data for this Ligand-Target Pair
Polyphenol oxidase 1 (Agaricus bisporus (White button mushroom))	BDBM233016 (p-Xylidine-bis(dithiocarbamate) sodium salt (II)) Show SMILES [S-]C(=S)NCc1ccc(CNC([S-])=S)cc1 Show InChI InChI=1S/C10H12N2S4/c13-9(14)11-5-7-1-2-8(4-3-7)6-12-10(15)16/h1-4H,5-6H2,(H2,11,13,14)(H2,12,15,16)/p-2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	950	-35.8	n/a	n/a	n/a	n/a	n/a	6.8	37
University of Tehran					Assay Description The assay was performed as previously described with slight modifications [Chen et al., J. Agric. Food Chem., 50:4108-12]. The reaction medium was 1 ...				J Enzyme Inhib Med Chem 25: 272-81 (2010) Article DOI: 10.1080/14756360903179351 BindingDB Entry DOI: 10.7270/Q2000101
					More data for this Ligand-Target Pair
Polyphenol oxidase 1 (Agaricus bisporus (White button mushroom))	BDBM233016 (p-Xylidine-bis(dithiocarbamate) sodium salt (II)) Show SMILES [S-]C(=S)NCc1ccc(CNC([S-])=S)cc1 Show InChI InChI=1S/C10H12N2S4/c13-9(14)11-5-7-1-2-8(4-3-7)6-12-10(15)16/h1-4H,5-6H2,(H2,11,13,14)(H2,12,15,16)/p-2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.05E+3	-35.5	n/a	n/a	n/a	n/a	n/a	6.8	37
University of Tehran					Assay Description The assay was performed as previously described with slight modifications [Chen et al., J. Agric. Food Chem., 50:4108-12]. The reaction medium was 1 ...				J Enzyme Inhib Med Chem 25: 272-81 (2010) Article DOI: 10.1080/14756360903179351 BindingDB Entry DOI: 10.7270/Q2000101
					More data for this Ligand-Target Pair
Polyphenol oxidase 1 (Agaricus bisporus (White button mushroom))	BDBM50382706 (Benzyldithiocarbamate sodium salt (I) | CHEMBL2023...) Show SMILES [S-]C(=S)NCc1ccccc1 Show InChI InChI=1S/C8H9NS2/c10-8(11)9-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10,11)/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70E+3	-31.1	n/a	n/a	n/a	n/a	n/a	6.8	37
University of Tehran					Assay Description The assay was performed as previously described with slight modifications [Chen et al., J. Agric. Food Chem., 50:4108-12]. The reaction medium was 1 ...				J Enzyme Inhib Med Chem 25: 272-81 (2010) Article DOI: 10.1080/14756360903179351 BindingDB Entry DOI: 10.7270/Q2000101
					More data for this Ligand-Target Pair
Polyphenol oxidase 1 (Agaricus bisporus (White button mushroom))	BDBM50382706 (Benzyldithiocarbamate sodium salt (I) | CHEMBL2023...) Show SMILES [S-]C(=S)NCc1ccccc1 Show InChI InChI=1S/C8H9NS2/c10-8(11)9-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10,11)/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90E+3	-31.0	n/a	n/a	n/a	n/a	n/a	6.8	37
University of Tehran					Assay Description The assay was performed as previously described with slight modifications [Chen et al., J. Agric. Food Chem., 50:4108-12]. The reaction medium was 1 ...				J Enzyme Inhib Med Chem 25: 272-81 (2010) Article DOI: 10.1080/14756360903179351 BindingDB Entry DOI: 10.7270/Q2000101
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM86064 (Iso-pentyl xanthate, III) Show SMILES CC(C)CCOC(=S)S[Na] Show InChI InChI=1S/C6H12OS2.Na/c1-5(2)3-4-7-6(8)9;/h5H,3-4H2,1-2H3,(H,8,9);/q;+1/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.10E+3	-29.3	n/a	n/a	n/a	n/a	n/a	6.8	20
University of Tehran					Assay Description Kinetic assay of catecholase and cresolase activities was carried out through depletion of MeBACat and MePAPh for 1 or 2 min with enzyme concentratio...				J Enzyme Inhib Med Chem 22: 239-46 (2007) Article DOI: 10.1080/14756360601114536 BindingDB Entry DOI: 10.7270/Q2XS5SZW
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM86063 (Iso-butyl xanthate, II) Show SMILES CC(C)COC(=S)S[Na] Show InChI InChI=1S/C5H10OS2.Na/c1-4(2)3-6-5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.20E+3	-28.9	n/a	n/a	n/a	n/a	n/a	6.8	20
University of Tehran					Assay Description Kinetic assay of catecholase and cresolase activities was carried out through depletion of MeBACat and MePAPh for 1 or 2 min with enzyme concentratio...				J Enzyme Inhib Med Chem 22: 239-46 (2007) Article DOI: 10.1080/14756360601114536 BindingDB Entry DOI: 10.7270/Q2XS5SZW
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50105934 (2-(6-Amino-purin-7-ylmethoxy)-ethanol | CHEMBL1260...) Show SMILES Nc1ncnc2ncn(COCCO)c12 Show InChI InChI=1S/C8H11N5O2/c9-7-6-8(11-3-10-7)12-4-13(6)5-15-2-1-14/h3-4,14H,1-2,5H2,(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against adenosine deaminase				J Med Chem 44: 3710-20 (2001) BindingDB Entry DOI: 10.7270/Q2G44R0Z
					More data for this Ligand-Target Pair
Polyphenol oxidase 1 (Agaricus bisporus (White button mushroom))	BDBM50382706 (Benzyldithiocarbamate sodium salt (I) | CHEMBL2023...) Show SMILES [S-]C(=S)NCc1ccccc1 Show InChI InChI=1S/C8H9NS2/c10-8(11)9-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10,11)/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40E+3	-28.9	n/a	n/a	n/a	n/a	n/a	6.8	27
University of Tehran					Assay Description The assay was performed as previously described with slight modifications [Chen et al., J. Agric. Food Chem., 50:4108-12]. The reaction medium was 1 ...				J Enzyme Inhib Med Chem 25: 272-81 (2010) Article DOI: 10.1080/14756360903179351 BindingDB Entry DOI: 10.7270/Q2000101
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM86062 (Iso-propyl xanthate, I) Show SMILES CC(C)OC(=S)S[Na] Show InChI InChI=1S/C4H8OS2.Na/c1-3(2)5-4(6)7;/h3H,1-2H3,(H,6,7);/q;+1/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	9.80E+3	-28.1	n/a	n/a	n/a	n/a	n/a	6.8	20
University of Tehran					Assay Description Kinetic assay of catecholase and cresolase activities was carried out through depletion of MeBACat and MePAPh for 1 or 2 min with enzyme concentratio...				J Enzyme Inhib Med Chem 22: 239-46 (2007) Article DOI: 10.1080/14756360601114536 BindingDB Entry DOI: 10.7270/Q2XS5SZW
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM86062 (Iso-propyl xanthate, I) Show SMILES CC(C)OC(=S)S[Na] Show InChI InChI=1S/C4H8OS2.Na/c1-3(2)5-4(6)7;/h3H,1-2H3,(H,6,7);/q;+1/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	1.29E+4	-27.4	n/a	n/a	n/a	n/a	n/a	6.8	20
University of Tehran					Assay Description Kinetic assay of catecholase and cresolase activities was carried out through depletion of MeBACat and MePAPh for 1 or 2 min with enzyme concentratio...				J Enzyme Inhib Med Chem 22: 239-46 (2007) Article DOI: 10.1080/14756360601114536 BindingDB Entry DOI: 10.7270/Q2XS5SZW
					More data for this Ligand-Target Pair
Polyphenol oxidase 1 (Agaricus bisporus (White button mushroom))	BDBM50382706 (Benzyldithiocarbamate sodium salt (I) | CHEMBL2023...) Show SMILES [S-]C(=S)NCc1ccccc1 Show InChI InChI=1S/C8H9NS2/c10-8(11)9-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10,11)/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.41E+4	-27.9	n/a	n/a	n/a	n/a	n/a	6.8	27
University of Tehran					Assay Description The assay was performed as previously described with slight modifications [Chen et al., J. Agric. Food Chem., 50:4108-12]. The reaction medium was 1 ...				J Enzyme Inhib Med Chem 25: 272-81 (2010) Article DOI: 10.1080/14756360903179351 BindingDB Entry DOI: 10.7270/Q2000101
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50029651 (CHEMBL143926 | [2-(6-Amino-purin-9-ylmethoxy)-ethy...) Show SMILES Nc1ncnc2n(COCCP(O)(O)=O)cnc12 Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)5-17-1-2-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Inhibitory potency was determined by competitive inhibition of Adenosine deaminase				J Med Chem 38: 4648-59 (1995) BindingDB Entry DOI: 10.7270/Q2V40T7T
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM86063 (Iso-butyl xanthate, II) Show SMILES CC(C)COC(=S)S[Na] Show InChI InChI=1S/C5H10OS2.Na/c1-4(2)3-6-5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.18E+4	-26.2	n/a	n/a	n/a	n/a	n/a	6.8	20
University of Tehran					Assay Description Kinetic assay of catecholase and cresolase activities was carried out through depletion of MeBACat and MePAPh for 1 or 2 min with enzyme concentratio...				J Enzyme Inhib Med Chem 22: 239-46 (2007) Article DOI: 10.1080/14756360601114536 BindingDB Entry DOI: 10.7270/Q2XS5SZW
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM86064 (Iso-pentyl xanthate, III) Show SMILES CC(C)CCOC(=S)S[Na] Show InChI InChI=1S/C6H12OS2.Na/c1-5(2)3-4-7-6(8)9;/h5H,3-4H2,1-2H3,(H,8,9);/q;+1/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.22E+4	-24.6	n/a	n/a	n/a	n/a	n/a	6.8	20
University of Tehran					Assay Description Kinetic assay of catecholase and cresolase activities was carried out through depletion of MeBACat and MePAPh for 1 or 2 min with enzyme concentratio...				J Enzyme Inhib Med Chem 22: 239-46 (2007) Article DOI: 10.1080/14756360601114536 BindingDB Entry DOI: 10.7270/Q2XS5SZW
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50369958 (CHEMBL1790862) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(=O)COCCn2cnc3ncnc(N)c23)[C@H]1O Show InChI InChI=1S/C18H24N10O10P2/c19-14-10-17(24-5-21-14)28(7-25-10)18-12(29)13(9(37-18)3-36-40(32,33)34)38-39(30,31)8-35-2-1-27-6-26-16-11(27)15(20)22-4-23-16/h4-7,9,12-13,18,29H,1-3,8H2,(H,30,31)(H2,19,21,24)(H2,20,22,23)(H2,32,33,34)/t9-,12-,13-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against adenosine deaminase				J Med Chem 44: 3710-20 (2001) BindingDB Entry DOI: 10.7270/Q2G44R0Z
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50029650 (2-(6-Amino-purin-9-ylmethoxy)-ethanol | CHEMBL3775...) Show SMILES Nc1ncnc2n(COCCO)cnc12 Show InChI InChI=1S/C8H11N5O2/c9-7-6-8(11-3-10-7)13(4-12-6)5-15-2-1-14/h3-4,14H,1-2,5H2,(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against adenosine deaminase				J Med Chem 44: 3710-20 (2001) BindingDB Entry DOI: 10.7270/Q2G44R0Z
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50029650 (2-(6-Amino-purin-9-ylmethoxy)-ethanol | CHEMBL3775...) Show SMILES Nc1ncnc2n(COCCO)cnc12 Show InChI InChI=1S/C8H11N5O2/c9-7-6-8(11-3-10-7)13(4-12-6)5-15-2-1-14/h3-4,14H,1-2,5H2,(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.43E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Inhibitory potency was determined by competitive inhibition of Adenosine deaminase				J Med Chem 38: 4648-59 (1995) BindingDB Entry DOI: 10.7270/Q2V40T7T
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50099681 (5-[2-(6-Amino-purin-9-yl)-ethylidene]-3,4-dimethox...) Show SMILES COC1=C(OC)\C(OC1=O)=C\Cn1cnc2c(N)ncnc12 |c:2| Show InChI InChI=1S/C13H13N5O4/c1-20-9-7(22-13(19)10(9)21-2)3-4-18-6-17-8-11(14)15-5-16-12(8)18/h3,5-6H,4H2,1-2H3,(H2,14,15,16)/b7-3-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.16E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Rate of deamination in the presence of calf mucosal adenosine deaminase (ADA)				J Med Chem 44: 1749-57 (2001) BindingDB Entry DOI: 10.7270/Q21V5D7J
					More data for this Ligand-Target Pair
Phosphoribosyl pyrophosphate synthase-associated protein 2 (Homo sapiens (Human))	BDBM50369958 (CHEMBL1790862) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(=O)COCCn2cnc3ncnc(N)c23)[C@H]1O Show InChI InChI=1S/C18H24N10O10P2/c19-14-10-17(24-5-21-14)28(7-25-10)18-12(29)13(9(37-18)3-36-40(32,33)34)38-39(30,31)8-35-2-1-27-6-26-16-11(27)15(20)22-4-23-16/h4-7,9,12-13,18,29H,1-3,8H2,(H,30,31)(H2,19,21,24)(H2,20,22,23)(H2,32,33,34)/t9-,12-,13-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against PRPP synthetase				J Med Chem 44: 3710-20 (2001) BindingDB Entry DOI: 10.7270/Q2G44R0Z
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50001103 ((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...) Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12 Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	>8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against adenosine deaminase				J Med Chem 44: 3710-20 (2001) BindingDB Entry DOI: 10.7270/Q2G44R0Z
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50369957 (CHEMBL1790864) Show SMILES COC1=C(OC)\C(OC1=O)=C\COP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(=O)COCCn1cnc2ncnc(N)c12)n1cnc2c(N)ncnc12 |c:2| Show InChI InChI=1S/C26H32N10O14P2/c1-43-19-13(49-26(38)20(19)44-2)3-5-46-52(41,42)47-7-14-18(17(37)25(48-14)36-11-33-15-21(27)29-9-32-24(15)36)50-51(39,40)12-45-6-4-35-10-34-23-16(35)22(28)30-8-31-23/h3,8-11,14,17-18,25,37H,4-7,12H2,1-2H3,(H,39,40)(H,41,42)(H2,27,29,32)(H2,28,30,31)/b13-3-/t14-,17-,18-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against adenosine deaminase				J Med Chem 44: 3710-20 (2001) BindingDB Entry DOI: 10.7270/Q2G44R0Z
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50105935 (CHEMBL121723 | [2-(6-Amino-purin-9-yl)-ethoxymethy...) Show SMILES COC1=C(OC)\C(OC1=O)=C\COP(O)(=O)COCCn1cnc2c(N)ncnc12 |c:2| Show InChI InChI=1S/C16H20N5O8P/c1-25-12-10(29-16(22)13(12)26-2)3-5-28-30(23,24)9-27-6-4-21-8-20-11-14(17)18-7-19-15(11)21/h3,7-8H,4-6,9H2,1-2H3,(H,23,24)(H2,17,18,19)/b10-3-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against adenosine deaminase				J Med Chem 44: 3710-20 (2001) BindingDB Entry DOI: 10.7270/Q2G44R0Z
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50099682 (5-(2-(6-amino-9H-purin-9-yl)ethyl)-5-hydroxy-3,4-d...) Show SMILES COC1=C(OC)C(O)(CCn2cnc3c(N)ncnc23)OC1=O |c:2| Show InChI InChI=1S/C13H15N5O5/c1-21-8-9(22-2)13(20,23-12(8)19)3-4-18-6-17-7-10(14)15-5-16-11(7)18/h5-6,20H,3-4H2,1-2H3,(H2,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Rate of deamination in the presence of calf mucosal adenosine deaminase (ADA)				J Med Chem 44: 1749-57 (2001) BindingDB Entry DOI: 10.7270/Q21V5D7J
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50105931 (CHEMBL123655 | [2-(6-Amino-purin-7-yl)-ethoxymethy...) Show SMILES Nc1ncnc2ncn(CCOCP(O)(O)=O)c12 Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)12-4-13(6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against adenosine deaminase				J Med Chem 44: 3710-20 (2001) BindingDB Entry DOI: 10.7270/Q2G44R0Z
					More data for this Ligand-Target Pair
Phosphoribosyl pyrophosphate synthase-associated protein 2 (Homo sapiens (Human))	BDBM50001103 ((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...) Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12 Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	3.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against PRPP synthetase				J Med Chem 44: 3710-20 (2001) BindingDB Entry DOI: 10.7270/Q2G44R0Z
					More data for this Ligand-Target Pair
Phosphoribosyl pyrophosphate synthase-associated protein 2 (Homo sapiens (Human))	BDBM50105931 (CHEMBL123655 | [2-(6-Amino-purin-7-yl)-ethoxymethy...) Show SMILES Nc1ncnc2ncn(CCOCP(O)(O)=O)c12 Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)12-4-13(6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against PRPP synthetase				J Med Chem 44: 3710-20 (2001) BindingDB Entry DOI: 10.7270/Q2G44R0Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50250844 (CHEMBL4070191) Show SMILES CN(Cc1ccc(cc1)C(F)(F)F)c1cc(ncn1)C(=O)Nc1ccc(cc1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27F3N6O/c1-32-11-13-34(14-12-32)21-9-7-20(8-10-21)31-24(35)22-15-23(30-17-29-22)33(2)16-18-3-5-19(6-4-18)25(26,27)28/h3-10,15,17H,11-14,16H2,1-2H3,(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of full length human ERG expressed in CHO cells at -70 mV holding potential by patch clamp assay				J Med Chem 60: 10118-10134 (2017) Article DOI: 10.1021/acs.jmedchem.7b01347 BindingDB Entry DOI: 10.7270/Q2RR21P5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50250842 (CHEMBL4088721) Show SMILES CN(Cc1ccc(cc1)C(F)(F)F)c1cc(ncn1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H17F3N4O/c1-27(12-14-7-9-15(10-8-14)20(21,22)23)18-11-17(24-13-25-18)19(28)26-16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of full length human ERG expressed in CHO cells at -70 mV holding potential by patch clamp assay				J Med Chem 60: 10118-10134 (2017) Article DOI: 10.1021/acs.jmedchem.7b01347 BindingDB Entry DOI: 10.7270/Q2RR21P5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50250847 (CHEMBL4088719) Show SMILES CC(C)Oc1ccc(NC(=O)c2cc(ncn2)N(C)Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C22H23FN4O2/c1-15(2)29-19-10-8-18(9-11-19)26-22(28)20-12-21(25-14-24-20)27(3)13-16-4-6-17(23)7-5-16/h4-12,14-15H,13H2,1-3H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of full length human ERG expressed in CHO cells at -70 mV holding potential by patch clamp assay				J Med Chem 60: 10118-10134 (2017) Article DOI: 10.1021/acs.jmedchem.7b01347 BindingDB Entry DOI: 10.7270/Q2RR21P5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50250845 (CHEMBL4101551) Show SMILES CN(Cc1ccc(F)cc1)c1cc(ncn1)C(=O)Nc1nncs1 Show InChI InChI=1S/C15H13FN6OS/c1-22(7-10-2-4-11(16)5-3-10)13-6-12(17-8-18-13)14(23)20-15-21-19-9-24-15/h2-6,8-9H,7H2,1H3,(H,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of full length human ERG expressed in CHO cells at -70 mV holding potential by patch clamp assay				J Med Chem 60: 10118-10134 (2017) Article DOI: 10.1021/acs.jmedchem.7b01347 BindingDB Entry DOI: 10.7270/Q2RR21P5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50250843 (CHEMBL4075071) Show SMILES CN(Cc1ccc(nc1)C(F)(F)F)c1cc(ncn1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H16F3N5O/c1-27(11-13-7-8-16(23-10-13)19(20,21)22)17-9-15(24-12-25-17)18(28)26-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of full length human ERG expressed in CHO cells at -70 mV holding potential by patch clamp assay				J Med Chem 60: 10118-10134 (2017) Article DOI: 10.1021/acs.jmedchem.7b01347 BindingDB Entry DOI: 10.7270/Q2RR21P5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50250846 (CHEMBL4083549) Show SMILES CN(Cc1ccc(nc1)C(F)(F)F)c1cc(ncn1)C(=O)Nc1nncs1 Show InChI InChI=1S/C15H12F3N7OS/c1-25(6-9-2-3-11(19-5-9)15(16,17)18)12-4-10(20-7-21-12)13(26)23-14-24-22-8-27-14/h2-5,7-8H,6H2,1H3,(H,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of full length human ERG expressed in CHO cells at -70 mV holding potential by patch clamp assay				J Med Chem 60: 10118-10134 (2017) Article DOI: 10.1021/acs.jmedchem.7b01347 BindingDB Entry DOI: 10.7270/Q2RR21P5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50581159 (CHEMBL5082703) Show SMILES CN(C)C(=O)O\N=C(/C#N)c1nc2ccccc2o1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG by Ionworks electrophysiology assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00707 BindingDB Entry DOI: 10.7270/Q2P2730D
					More data for this Ligand-Target Pair