Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50011234   

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)	BDBM50104022 (3-[2-chloro-6-(methylamino)-9H-purin-9-yl]-2-[(pho...) Show SMILES CNc1nc(Cl)nc2n(CC(COP(O)(O)=O)COP(O)(=O)OP(O)(O)=O)cnc12 Show InChI InChI=1S/C10H17ClN5O11P3/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-25-28(17,18)19)4-26-30(23,24)27-29(20,21)22/h5-6H,2-4H2,1H3,(H,23,24)(H,12,14,15)(H2,17,18,19)(H2,20,21,22)	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes				J Med Chem 44: 3092-108 (2001) BindingDB Entry DOI: 10.7270/Q20864KX
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50104014 (CHEMBL104784 | Phosphoric acid mono-[3-(2-chloro-6...) Show SMILES CNc1nc(Cl)nc2n(CC(COP(O)(O)=O)COP(O)(O)=O)cnc12 Show InChI InChI=1S/C10H16ClN5O8P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23-25(17,18)19)4-24-26(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22)	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes				J Med Chem 44: 3092-108 (2001) BindingDB Entry DOI: 10.7270/Q20864KX
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50085327 (CHEMBL108166 | MRS 2286 | Phosphoric acid mono-[4-...) Show SMILES CNc1nc(Cl)nc2n(CCC(COP(O)(O)=O)COP(O)(O)=O)cnc12 Show InChI InChI=1S/C11H18ClN5O8P2/c1-13-9-8-10(16-11(12)15-9)17(6-14-8)3-2-7(4-24-26(18,19)20)5-25-27(21,22)23/h6-7H,2-5H2,1H3,(H,13,15,16)(H2,18,19,20)(H2,21,22,23)	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes				J Med Chem 44: 3092-108 (2001) BindingDB Entry DOI: 10.7270/Q20864KX
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50104026 (CHEMBL320924 | Phosphoric acid mono-[3-(6-methylam...) Show SMILES CNc1ncnc2n(CC(COP(O)(O)=O)COP(O)(O)=O)cnc12 Show InChI InChI=1S/C10H17N5O8P2/c1-11-9-8-10(13-5-12-9)15(6-14-8)2-7(3-22-24(16,17)18)4-23-25(19,20)21/h5-7H,2-4H2,1H3,(H,11,12,13)(H2,16,17,18)(H2,19,20,21)	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes				J Med Chem 44: 3092-108 (2001) BindingDB Entry DOI: 10.7270/Q20864KX
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50104029 (CHEMBL104886 | Phosphoric acid mono-[3-(2-chloro-6...) Show SMILES CNc1nc(Cl)nc2n(C[C@@H](COP(O)(O)=O)OP(O)(O)=O)cnc12 Show InChI InChI=1S/C9H14ClN5O8P2/c1-11-7-6-8(14-9(10)13-7)15(4-12-6)2-5(23-25(19,20)21)3-22-24(16,17)18/h4-5H,2-3H2,1H3,(H,11,13,14)(H2,16,17,18)(H2,19,20,21)/t5-/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes				J Med Chem 44: 3092-108 (2001) BindingDB Entry DOI: 10.7270/Q20864KX
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50085328 (CHEMBL432028 | Phosphoric acid mono-[4-(6-methylam...) Show SMILES CNc1ncnc2n(CCC(COP(O)(O)=O)COP(O)(O)=O)cnc12 Show InChI InChI=1S/C11H19N5O8P2/c1-12-10-9-11(14-6-13-10)16(7-15-9)3-2-8(4-23-25(17,18)19)5-24-26(20,21)22/h6-8H,2-5H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22)	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes				J Med Chem 44: 3092-108 (2001) BindingDB Entry DOI: 10.7270/Q20864KX
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50104016 (CHEMBL106860 | Phosphoric acid mono-[2-(2-chloro-6...) Show SMILES CNc1nc(Cl)nc2n(C[C@@H]3[C@@H](COP(O)(O)=O)[C@H]3COP(O)(O)=O)cnc12 Show InChI InChI=1S/C12H18ClN5O8P2/c1-14-10-9-11(17-12(13)16-10)18(5-15-9)2-6-7(3-25-27(19,20)21)8(6)4-26-28(22,23)24/h5-8H,2-4H2,1H3,(H,14,16,17)(H2,19,20,21)(H2,22,23,24)/t6-,7-,8+	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes				J Med Chem 44: 3092-108 (2001) BindingDB Entry DOI: 10.7270/Q20864KX
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50104021 (CHEMBL104752 | Phosphoric acid mono-[2-(2-chloro-6...) Show SMILES CNc1nc(Cl)nc2n(CC3CC3(COP(O)(O)=O)COP(O)(O)=O)cnc12 Show InChI InChI=1S/C12H18ClN5O8P2/c1-14-9-8-10(17-11(13)16-9)18(6-15-8)3-7-2-12(7,4-25-27(19,20)21)5-26-28(22,23)24/h6-7H,2-5H2,1H3,(H,14,16,17)(H2,19,20,21)(H2,22,23,24)	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes				J Med Chem 44: 3092-108 (2001) BindingDB Entry DOI: 10.7270/Q20864KX
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50104024 (CHEMBL104316 | Phosphoric acid mono-[3-(2-chloro-6...) Show SMILES CNc1nc(Cl)nc2n(CC(CCOP(O)(O)=O)CCOP(O)(O)=O)cnc12 Show InChI InChI=1S/C12H20ClN5O8P2/c1-14-10-9-11(17-12(13)16-10)18(7-15-9)6-8(2-4-25-27(19,20)21)3-5-26-28(22,23)24/h7-8H,2-6H2,1H3,(H,14,16,17)(H2,19,20,21)(H2,22,23,24)	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes				J Med Chem 44: 3092-108 (2001) BindingDB Entry DOI: 10.7270/Q20864KX
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50104018 (CHEMBL323457 | Phosphoric acid mono-[4-(2-chloro-6...) Show SMILES [#6]-[#7]-c1nc(Cl)nc2n(-[#6]\[#6]=[#6](\[#6]-[#8]P([#8])([#8])=O)-[#6]-[#8]P([#8])([#8])=O)cnc12 Show InChI InChI=1S/C11H16ClN5O8P2/c1-13-9-8-10(16-11(12)15-9)17(6-14-8)3-2-7(4-24-26(18,19)20)5-25-27(21,22)23/h2,6H,3-5H2,1H3,(H,13,15,16)(H2,18,19,20)(H2,21,22,23)	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes				J Med Chem 44: 3092-108 (2001) BindingDB Entry DOI: 10.7270/Q20864KX
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50104019 (CHEMBL323265 | Phosphoric acid mono-[2-(2-chloro-6...) Show SMILES CNc1nc(Cl)nc2n(C[C@H]3[C@@H](COP(O)(O)=O)[C@H]3COP(O)(O)=O)cnc12 Show InChI InChI=1S/C12H18ClN5O8P2/c1-14-10-9-11(17-12(13)16-10)18(5-15-9)2-6-7(3-25-27(19,20)21)8(6)4-26-28(22,23)24/h5-8H,2-4H2,1H3,(H,14,16,17)(H2,19,20,21)(H2,22,23,24)/t6-,7+,8-	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes				J Med Chem 44: 3092-108 (2001) BindingDB Entry DOI: 10.7270/Q20864KX
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50104028 (CHEMBL431649 | Phosphoric acid mono-[2-(2-chloro-6...) Show SMILES CNc1nc(Cl)nc2n(cnc12)C1CC1(COP(O)(O)=O)COP(O)(O)=O Show InChI InChI=1S/C11H16ClN5O8P2/c1-13-8-7-9(16-10(12)15-8)17(5-14-7)6-2-11(6,3-24-26(18,19)20)4-25-27(21,22)23/h5-6H,2-4H2,1H3,(H,13,15,16)(H2,18,19,20)(H2,21,22,23)	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes				J Med Chem 44: 3092-108 (2001) BindingDB Entry DOI: 10.7270/Q20864KX
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50104023 (CHEMBL274496 | Phosphoric acid mono-[2-(2-chloro-6...) Show SMILES CNc1nc(Cl)nc2n(CC3[C@H](COP(O)(O)=O)[C@H]3COP(O)(O)=O)cnc12 Show InChI InChI=1S/C12H18ClN5O8P2/c1-14-10-9-11(17-12(13)16-10)18(5-15-9)2-6-7(3-25-27(19,20)21)8(6)4-26-28(22,23)24/h5-8H,2-4H2,1H3,(H,14,16,17)(H2,19,20,21)(H2,22,23,24)/t7-,8-/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes				J Med Chem 44: 3092-108 (2001) BindingDB Entry DOI: 10.7270/Q20864KX
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50104017 (CHEMBL104600 | Phosphoric acid mono-[2-(2-chloro-6...) Show SMILES CNc1nc(Cl)nc2n(cnc12)C(COP(O)(O)=O)COP(O)(O)=O Show InChI InChI=1S/C9H14ClN5O8P2/c1-11-7-6-8(14-9(10)13-7)15(4-12-6)5(2-22-24(16,17)18)3-23-25(19,20)21/h4-5H,2-3H2,1H3,(H,11,13,14)(H2,16,17,18)(H2,19,20,21)	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes				J Med Chem 44: 3092-108 (2001) BindingDB Entry DOI: 10.7270/Q20864KX
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50104015 (CHEMBL104143 | Phosphoric acid mono-[3-(2-chloro-6...) Show SMILES CNc1nc(Cl)nc2n(C[C@H](COP(O)(O)=O)OP(O)(O)=O)cnc12 Show InChI InChI=1S/C9H14ClN5O8P2/c1-11-7-6-8(14-9(10)13-7)15(4-12-6)2-5(23-25(19,20)21)3-22-24(16,17)18/h4-5H,2-3H2,1H3,(H,11,13,14)(H2,16,17,18)(H2,19,20,21)/t5-/m1/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes				J Med Chem 44: 3092-108 (2001) BindingDB Entry DOI: 10.7270/Q20864KX
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50104020 (CHEMBL107952 | Phosphoric acid mono-[3-(2-chloro-6...) Show SMILES CNc1nc(Cl)nc2n(CC(CO)COP(O)(O)=O)cnc12 Show InChI InChI=1S/C10H15ClN5O5P/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-17)4-21-22(18,19)20/h5-6,17H,2-4H2,1H3,(H,12,14,15)(H2,18,19,20)	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes				J Med Chem 44: 3092-108 (2001) BindingDB Entry DOI: 10.7270/Q20864KX
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50104025 (CHEMBL432590 | Phosphoric acid 3-(2-chloro-6-methy...) Show SMILES CNc1nc(Cl)nc2n(CC(COP(O)(O)=O)COP(=O)(OC)OC)cnc12 Show InChI InChI=1S/C12H20ClN5O8P2/c1-14-10-9-11(17-12(13)16-10)18(7-15-9)4-8(5-25-27(19,20)21)6-26-28(22,23-2)24-3/h7-8H,4-6H2,1-3H3,(H,14,16,17)(H2,19,20,21)	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes				J Med Chem 44: 3092-108 (2001) BindingDB Entry DOI: 10.7270/Q20864KX
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50104027 (Acetic acid 3-(2-chloro-6-methylamino-purin-9-yl)-...) Show SMILES CNc1nc(Cl)nc2n(CC(COC(C)=O)COP(O)(O)=O)cnc12 Show InChI InChI=1S/C12H17ClN5O6P/c1-7(19)23-4-8(5-24-25(20,21)22)3-18-6-15-9-10(14-2)16-12(13)17-11(9)18/h6,8H,3-5H2,1-2H3,(H,14,16,17)(H2,20,21,22)	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes				J Med Chem 44: 3092-108 (2001) BindingDB Entry DOI: 10.7270/Q20864KX
					More data for this Ligand-Target Pair