Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'hakimelahi' and Initial = 's'   

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))	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
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))	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))	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
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))	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
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