Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50031588   

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
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50315825 (({[({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-...) Show SMILES BP(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(SC)nc12)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O |r| Show InChI InChI=1S/C12H19BCl2N5O11P3S/c1-35-11-18-8(16)5-9(19-11)20(3-17-5)10-7(22)6(21)4(30-10)2-29-34(13,28)31-33(26,27)12(14,15)32(23,24)25/h3-4,6-7,10,21-22H,2,13H2,1H3,(H,26,27)(H2,16,18,19)(H2,23,24,25)/t4-,6-,7-,10-,34?/m1/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	570	n/a	n/a	n/a	n/a
Bar-Ilan University Curated by ChEMBL					Assay Description Agonist activity at turkey P2Y1 receptor expressed in human 132N1 receptor assessed as induction of intracellular calcium mobilization				J Med Chem 53: 3305-19 (2010) Article DOI: 10.1021/jm100030u BindingDB Entry DOI: 10.7270/Q2CV4HW1
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50118242 (((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...) Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C11H17N5O10P2S/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a
Bar-Ilan University Curated by ChEMBL					Assay Description Agonist activity at turkey P2Y1 receptor expressed in human 132N1 receptor assessed as induction of intracellular calcium mobilization				J Med Chem 53: 3305-19 (2010) Article DOI: 10.1021/jm100030u BindingDB Entry DOI: 10.7270/Q2CV4HW1
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50315822 (({[({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-...) Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)C(F)(F)P(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C12H18F2N5O12P3S/c1-35-11-17-8(15)5-9(18-11)19(3-16-5)10-7(21)6(20)4(30-10)2-29-34(27,28)31-33(25,26)12(13,14)32(22,23)24/h3-4,6-7,10,20-21H,2H2,1H3,(H,25,26)(H,27,28)(H2,15,17,18)(H2,22,23,24)/t4-,6-,7-,10-/m1/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	760	n/a	n/a	n/a	n/a
Bar-Ilan University Curated by ChEMBL					Assay Description Agonist activity at turkey P2Y1 receptor expressed in human 132N1 receptor assessed as induction of intracellular calcium mobilization				J Med Chem 53: 3305-19 (2010) Article DOI: 10.1021/jm100030u BindingDB Entry DOI: 10.7270/Q2CV4HW1
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50315827 (CHEMBL1093205 | [({[(2R,3S,4R,5R)-5-[6-amino-2-(me...) Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C12H17Cl2N5O9P2S/c1-31-11-17-8(15)5-9(18-11)19(3-16-5)10-7(21)6(20)4(28-10)2-27-30(25,26)12(13,14)29(22,23)24/h3-4,6-7,10,20-21H,2H2,1H3,(H,25,26)(H2,15,17,18)(H2,22,23,24)/t4-,6-,7-,10-/m1/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a
Bar-Ilan University Curated by ChEMBL					Assay Description Agonist activity at turkey P2Y1 receptor expressed in human 132N1 receptor assessed as induction of intracellular calcium mobilization				J Med Chem 53: 3305-19 (2010) Article DOI: 10.1021/jm100030u BindingDB Entry DOI: 10.7270/Q2CV4HW1
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50315824 (({[({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-...) Show SMILES BP(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(SC)nc12)OP(O)(=O)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C12H19BF2N5O11P3S/c1-35-11-18-8(16)5-9(19-11)20(3-17-5)10-7(22)6(21)4(30-10)2-29-34(13,28)31-33(26,27)12(14,15)32(23,24)25/h3-4,6-7,10,21-22H,2,13H2,1H3,(H,26,27)(H2,16,18,19)(H2,23,24,25)/t4-,6-,7-,10-,34?/m1/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.13E+3	n/a	n/a	n/a	n/a
Bar-Ilan University Curated by ChEMBL					Assay Description Agonist activity at turkey P2Y1 receptor expressed in human 132N1 receptor assessed as induction of intracellular calcium mobilization				J Med Chem 53: 3305-19 (2010) Article DOI: 10.1021/jm100030u BindingDB Entry DOI: 10.7270/Q2CV4HW1
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50315825 (({[({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-...) Show SMILES BP(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(SC)nc12)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O |r| Show InChI InChI=1S/C12H19BCl2N5O11P3S/c1-35-11-18-8(16)5-9(19-11)20(3-17-5)10-7(22)6(21)4(30-10)2-29-34(13,28)31-33(26,27)12(14,15)32(23,24)25/h3-4,6-7,10,21-22H,2,13H2,1H3,(H,26,27)(H2,16,18,19)(H2,23,24,25)/t4-,6-,7-,10-,34?/m1/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	570	n/a	n/a	n/a	n/a
Bar-Ilan University Curated by ChEMBL					Assay Description Agonist activity at turkey P2Y1 receptor expressed in human 132N1 receptor assessed as induction of intracellular calcium mobilization				J Med Chem 53: 3305-19 (2010) Article DOI: 10.1021/jm100030u BindingDB Entry DOI: 10.7270/Q2CV4HW1
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50315826 (CHEMBL1094568 | [({[(2R,3S,4R,5R)-5-[6-amino-2-(me...) Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)C(F)(F)P(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C12H17F2N5O9P2S/c1-31-11-17-8(15)5-9(18-11)19(3-16-5)10-7(21)6(20)4(28-10)2-27-30(25,26)12(13,14)29(22,23)24/h3-4,6-7,10,20-21H,2H2,1H3,(H,25,26)(H2,15,17,18)(H2,22,23,24)/t4-,6-,7-,10-/m1/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	980	n/a	n/a	n/a	n/a
Bar-Ilan University Curated by ChEMBL					Assay Description Agonist activity at turkey P2Y1 receptor expressed in human 132N1 receptor assessed as induction of intracellular calcium mobilization				J Med Chem 53: 3305-19 (2010) Article DOI: 10.1021/jm100030u BindingDB Entry DOI: 10.7270/Q2CV4HW1
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50315823 (({[({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-...) Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C12H18Cl2N5O12P3S/c1-35-11-17-8(15)5-9(18-11)19(3-16-5)10-7(21)6(20)4(30-10)2-29-34(27,28)31-33(25,26)12(13,14)32(22,23)24/h3-4,6-7,10,20-21H,2H2,1H3,(H,25,26)(H,27,28)(H2,15,17,18)(H2,22,23,24)/t4-,6-,7-,10-/m1/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.54E+3	n/a	n/a	n/a	n/a
Bar-Ilan University Curated by ChEMBL					Assay Description Agonist activity at turkey P2Y1 receptor expressed in human 132N1 receptor assessed as induction of intracellular calcium mobilization				J Med Chem 53: 3305-19 (2010) Article DOI: 10.1021/jm100030u BindingDB Entry DOI: 10.7270/Q2CV4HW1
					More data for this Ligand-Target Pair