Compile Data Set for Download or QSAR

Found 4 hits of affinity data for UniProtKB/TrEMBL: O18956   

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
Ectonucleoside triphosphate diphosphohydrolase 1 (Bos taurus)	BDBM50369522 (CHEMBL610358) Show SMILES CCCCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H24N5O13P3S/c1-2-3-4-36-14-18-8-11(15)16-6-17-12(8)19(14)13-10(21)9(20)7(30-13)5-29-34(25,26)32-35(27,28)31-33(22,23)24/h6-7,9-10,13,20-21H,2-5H2,1H3,(H,25,26)(H,27,28)(H2,15,16,17)(H2,22,23,24)/t7-,9-,10-,13?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Tested for inhibition of Nucleoside Triphosphate Diphosphohydrolase (NTPDase) from bovine spleen.				J Med Chem 43: 2239-47 (2000) BindingDB Entry DOI: 10.7270/Q2V40VX6
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Bos taurus)	BDBM50369524 (CHEMBL607720) Show SMILES CCCCCCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H28N5O13P3S/c1-2-3-4-5-6-38-16-20-10-13(17)18-8-19-14(10)21(16)15-12(23)11(22)9(32-15)7-31-36(27,28)34-37(29,30)33-35(24,25)26/h8-9,11-12,15,22-23H,2-7H2,1H3,(H,27,28)(H,29,30)(H2,17,18,19)(H2,24,25,26)/t9-,11-,12-,15?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Tested for inhibition of Nucleoside Triphosphate Diphosphohydrolase (NTPDase) from bovine spleen.				J Med Chem 43: 2239-47 (2000) BindingDB Entry DOI: 10.7270/Q2V40VX6
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Bos taurus)	BDBM50369523 (CHEMBL612159) Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(SC3CCCCCC3)nc12 |r| Show InChI InChI=1S/C17H28N5O13P3S/c18-14-11-15(20-8-19-14)22(17(21-11)39-9-5-3-1-2-4-6-9)16-13(24)12(23)10(33-16)7-32-37(28,29)35-38(30,31)34-36(25,26)27/h8-10,12-13,16,23-24H,1-7H2,(H,28,29)(H,30,31)(H2,18,19,20)(H2,25,26,27)/t10-,12-,13-,16?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Tested for inhibition of Nucleoside Triphosphate Diphosphohydrolase (NTPDase) from bovine spleen.				J Med Chem 43: 2239-47 (2000) BindingDB Entry DOI: 10.7270/Q2V40VX6
					More data for this Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1 (Bos taurus)	BDBM50369521 (CHEMBL610939) Show SMILES CC(C)(C)CSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H26N5O13P3S/c1-15(2,3)5-37-14-19-8-11(16)17-6-18-12(8)20(14)13-10(22)9(21)7(31-13)4-30-35(26,27)33-36(28,29)32-34(23,24)25/h6-7,9-10,13,21-22H,4-5H2,1-3H3,(H,26,27)(H,28,29)(H2,16,17,18)(H2,23,24,25)/t7-,9-,10-,13?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Tested for inhibition of Nucleoside Triphosphate Diphosphohydrolase (NTPDase) from bovine spleen.				J Med Chem 43: 2239-47 (2000) BindingDB Entry DOI: 10.7270/Q2V40VX6
					More data for this Ligand-Target Pair