Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'kiriyak' and Initial = 'av'   

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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50155250 (3-[3-(2,3-Dihydro-1H-isoindol-5-ylcarbamoyl)-propi...) Show SMILES OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CNCc2c1)c1ccccc1 Show InChI InChI=1S/C21H23N3O4/c25-19(23-17-7-6-15-12-22-13-16(15)10-17)8-9-20(26)24-18(11-21(27)28)14-4-2-1-3-5-14/h1-7,10,18,22H,8-9,11-13H2,(H,23,25)(H,24,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description In vitro binding affinity for FITC-labeled fibrinogen binding to alphaIIb-beta3 receptor of human platelets				Bioorg Med Chem Lett 14: 5533-5 (2004) Article DOI: 10.1016/j.bmcl.2004.09.002 BindingDB Entry DOI: 10.7270/Q2J38T9M
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50155251 (3-[3-(2,3-Dihydro-1H-isoindol-5-ylcarbamoyl)-propi...) Show SMILES OC(=O)CCNC(=O)CCC(=O)Nc1ccc2CNCc2c1 Show InChI InChI=1S/C15H19N3O4/c19-13(17-6-5-15(21)22)3-4-14(20)18-12-2-1-10-8-16-9-11(10)7-12/h1-2,7,16H,3-6,8-9H2,(H,17,19)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description In vitro binding affinity for FITC-labeled fibrinogen binding to alphaIIb-beta3 receptor of human platelets				Bioorg Med Chem Lett 14: 5533-5 (2004) Article DOI: 10.1016/j.bmcl.2004.09.002 BindingDB Entry DOI: 10.7270/Q2J38T9M
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-3 (Homo sapiens (Human))	BDBM50323320 (3-(3,4-dimethoxyphenyl)-3-(3-(1,2,3,4-tetrahydrois...) Show SMILES COc1ccc(cc1OC)C(CC(O)=O)NC(=O)c1cccc(c1)C(=O)Nc1ccc2CCNCc2c1 Show InChI InChI=1S/C28H29N3O6/c1-36-24-9-7-18(14-25(24)37-2)23(15-26(32)33)31-28(35)20-5-3-4-19(12-20)27(34)30-22-8-6-17-10-11-29-16-21(17)13-22/h3-9,12-14,23,29H,10-11,15-16H2,1-2H3,(H,30,34)(H,31,35)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Displacement of FITC-Fg from integrin alpha2beta3 receptor expressed in human activated platelets				Bioorg Med Chem Lett 16: 5294-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.090 BindingDB Entry DOI: 10.7270/Q2MW2HZP
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-3 (Homo sapiens (Human))	BDBM50323319 (3-(3-(carbamoyl)benzamido)-3-(4-methoxyphenyl)prop...) Show SMILES COc1ccc(cc1)C(CC(O)=O)NC(=O)c1cccc(c1)C(=O)Nc1ccc2CCNCc2c1 Show InChI InChI=1S/C27H27N3O5/c1-35-23-9-6-18(7-10-23)24(15-25(31)32)30-27(34)20-4-2-3-19(13-20)26(33)29-22-8-5-17-11-12-28-16-21(17)14-22/h2-10,13-14,24,28H,11-12,15-16H2,1H3,(H,29,33)(H,30,34)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Displacement of FITC-Fg from integrin alpha2beta3 receptor expressed in human activated platelets				Bioorg Med Chem Lett 16: 5294-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.090 BindingDB Entry DOI: 10.7270/Q2MW2HZP
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-3 (Homo sapiens (Human))	BDBM50323318 (3-(3-(carbamoyl)benzamido)-3-phenylpropanoic acid ...) Show SMILES OC(=O)CC(NC(=O)c1cccc(c1)C(=O)Nc1ccc2CCNCc2c1)c1ccccc1 Show InChI InChI=1S/C26H25N3O4/c30-24(31)15-23(18-5-2-1-3-6-18)29-26(33)20-8-4-7-19(13-20)25(32)28-22-10-9-17-11-12-27-16-21(17)14-22/h1-10,13-14,23,27H,11-12,15-16H2,(H,28,32)(H,29,33)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Displacement of FITC-Fg from integrin alpha2beta3 receptor expressed in human activated platelets				Bioorg Med Chem Lett 16: 5294-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.090 BindingDB Entry DOI: 10.7270/Q2MW2HZP
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-3 (Homo sapiens (Human))	BDBM50370766 (CHEMBL385939) Show SMILES COc1ccc(cc1OC)C(CC(O)=O)NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1ccc2CCNCc2c1 Show InChI InChI=1S/C28H28N4O8/c1-39-24-6-4-17(13-25(24)40-2)23(14-26(33)34)31-28(36)19-9-18(11-22(12-19)32(37)38)27(35)30-21-5-3-16-7-8-29-15-20(16)10-21/h3-6,9-13,23,29H,7-8,14-15H2,1-2H3,(H,30,35)(H,31,36)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Displacement of FITC-Fg from integrin alpha2beta3 receptor expressed in human activated platelets				Bioorg Med Chem Lett 16: 5294-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.090 BindingDB Entry DOI: 10.7270/Q2MW2HZP
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-3 (Homo sapiens (Human))	BDBM50370765 (CHEMBL219051) Show SMILES COc1ccc(cc1)C(CC(O)=O)NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1ccc2CCNCc2c1 Show InChI InChI=1S/C27H26N4O7/c1-38-23-6-3-17(4-7-23)24(14-25(32)33)30-27(35)19-10-18(12-22(13-19)31(36)37)26(34)29-21-5-2-16-8-9-28-15-20(16)11-21/h2-7,10-13,24,28H,8-9,14-15H2,1H3,(H,29,34)(H,30,35)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Displacement of FITC-Fg from integrin alpha2beta3 receptor expressed in human activated platelets				Bioorg Med Chem Lett 16: 5294-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.090 BindingDB Entry DOI: 10.7270/Q2MW2HZP
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-3 (Homo sapiens (Human))	BDBM50370769 (CHEMBL218200) Show SMILES OC(=O)CC(NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1ccc2CCNCc2c1)c1ccccc1 Show InChI InChI=1S/C26H24N4O6/c31-24(32)14-23(17-4-2-1-3-5-17)29-26(34)19-10-18(12-22(13-19)30(35)36)25(33)28-21-7-6-16-8-9-27-15-20(16)11-21/h1-7,10-13,23,27H,8-9,14-15H2,(H,28,33)(H,29,34)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Displacement of FITC-Fg from integrin alpha2beta3 receptor expressed in human activated platelets				Bioorg Med Chem Lett 16: 5294-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.090 BindingDB Entry DOI: 10.7270/Q2MW2HZP
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50155250 (3-[3-(2,3-Dihydro-1H-isoindol-5-ylcarbamoyl)-propi...) Show SMILES OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CNCc2c1)c1ccccc1 Show InChI InChI=1S/C21H23N3O4/c25-19(23-17-7-6-15-12-22-13-16(15)10-17)8-9-20(26)24-18(11-21(27)28)14-4-2-1-3-5-14/h1-7,10,18,22H,8-9,11-13H2,(H,23,25)(H,24,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description In vitro inhibition of FITC-labeled fibrinogen binding to alphaIIb-beta3 receptor of human platelets				Bioorg Med Chem Lett 14: 5533-5 (2004) Article DOI: 10.1016/j.bmcl.2004.09.002 BindingDB Entry DOI: 10.7270/Q2J38T9M
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-3 (Homo sapiens (Human))	BDBM50370768 (CHEMBL219603) Show SMILES OC(=O)CCNC(=O)c1cccc(c1)C(=O)Nc1ccc2CCNCc2c1 Show InChI InChI=1S/C20H21N3O4/c24-18(25)7-9-22-19(26)14-2-1-3-15(10-14)20(27)23-17-5-4-13-6-8-21-12-16(13)11-17/h1-5,10-11,21H,6-9,12H2,(H,22,26)(H,23,27)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Displacement of FITC-Fg from integrin alpha2beta3 receptor expressed in human activated platelets				Bioorg Med Chem Lett 16: 5294-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.090 BindingDB Entry DOI: 10.7270/Q2MW2HZP
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50155251 (3-[3-(2,3-Dihydro-1H-isoindol-5-ylcarbamoyl)-propi...) Show SMILES OC(=O)CCNC(=O)CCC(=O)Nc1ccc2CNCc2c1 Show InChI InChI=1S/C15H19N3O4/c19-13(17-6-5-15(21)22)3-4-14(20)18-12-2-1-10-8-16-9-11(10)7-12/h1-2,7,16H,3-6,8-9H2,(H,17,19)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description In vitro inhibition of FITC-labeled fibrinogen binding to alphaIIb-beta3 receptor of human platelets				Bioorg Med Chem Lett 14: 5533-5 (2004) Article DOI: 10.1016/j.bmcl.2004.09.002 BindingDB Entry DOI: 10.7270/Q2J38T9M
					More data for this Ligand-Target Pair
Integrin alpha-2/beta-3 (Homo sapiens (Human))	BDBM50370767 (CHEMBL218226) Show SMILES OC(=O)CCNC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1ccc2CCNCc2c1 Show InChI InChI=1S/C20H20N4O6/c25-18(26)4-6-22-19(27)13-7-14(10-17(9-13)24(29)30)20(28)23-16-2-1-12-3-5-21-11-15(12)8-16/h1-2,7-10,21H,3-6,11H2,(H,22,27)(H,23,28)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Displacement of FITC-Fg from integrin alpha2beta3 receptor expressed in human activated platelets				Bioorg Med Chem Lett 16: 5294-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.090 BindingDB Entry DOI: 10.7270/Q2MW2HZP
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50155250 (3-[3-(2,3-Dihydro-1H-isoindol-5-ylcarbamoyl)-propi...) Show SMILES OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CNCc2c1)c1ccccc1 Show InChI InChI=1S/C21H23N3O4/c25-19(23-17-7-6-15-12-22-13-16(15)10-17)8-9-20(26)24-18(11-21(27)28)14-4-2-1-3-5-14/h1-7,10,18,22H,8-9,11-13H2,(H,23,25)(H,24,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description In vitro inhibition of human platelet aggregation in suspension				Bioorg Med Chem Lett 14: 5533-5 (2004) Article DOI: 10.1016/j.bmcl.2004.09.002 BindingDB Entry DOI: 10.7270/Q2J38T9M
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50031552 (3-[3-(4-Carbamimidoyl-phenylcarbamoyl)-propionylam...) Show SMILES NC(=N)c1ccc(NC(=O)CCC(=O)NC(CC(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C20H22N4O4/c21-20(22)14-6-8-15(9-7-14)23-17(25)10-11-18(26)24-16(12-19(27)28)13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H3,21,22)(H,23,25)(H,24,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description In vitro inhibition of Collagen-induced platelet aggregation in canine platelet rich plasma				Bioorg Med Chem Lett 14: 5533-5 (2004) Article DOI: 10.1016/j.bmcl.2004.09.002 BindingDB Entry DOI: 10.7270/Q2J38T9M
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50155250 (3-[3-(2,3-Dihydro-1H-isoindol-5-ylcarbamoyl)-propi...) Show SMILES OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CNCc2c1)c1ccccc1 Show InChI InChI=1S/C21H23N3O4/c25-19(23-17-7-6-15-12-22-13-16(15)10-17)8-9-20(26)24-18(11-21(27)28)14-4-2-1-3-5-14/h1-7,10,18,22H,8-9,11-13H2,(H,23,25)(H,24,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description In vitro inhibition of human platelet aggregation in platelet rich plasma				Bioorg Med Chem Lett 14: 5533-5 (2004) Article DOI: 10.1016/j.bmcl.2004.09.002 BindingDB Entry DOI: 10.7270/Q2J38T9M
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50031564 (3-[3-(4-Carbamimidoyl-phenylcarbamoyl)-propionylam...) Show SMILES NC(=N)c1ccc(NC(=O)CCC(=O)NCCC(O)=O)cc1 Show InChI InChI=1S/C14H18N4O4/c15-14(16)9-1-3-10(4-2-9)18-12(20)6-5-11(19)17-8-7-13(21)22/h1-4H,5-8H2,(H3,15,16)(H,17,19)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description In vitro inhibition of Collagen-induced platelet aggregation in canine platelet rich plasma				Bioorg Med Chem Lett 14: 5533-5 (2004) Article DOI: 10.1016/j.bmcl.2004.09.002 BindingDB Entry DOI: 10.7270/Q2J38T9M
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50155251 (3-[3-(2,3-Dihydro-1H-isoindol-5-ylcarbamoyl)-propi...) Show SMILES OC(=O)CCNC(=O)CCC(=O)Nc1ccc2CNCc2c1 Show InChI InChI=1S/C15H19N3O4/c19-13(17-6-5-15(21)22)3-4-14(20)18-12-2-1-10-8-16-9-11(10)7-12/h1-2,7,16H,3-6,8-9H2,(H,17,19)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description In vitro inhibition of human platelet aggregation in suspension				Bioorg Med Chem Lett 14: 5533-5 (2004) Article DOI: 10.1016/j.bmcl.2004.09.002 BindingDB Entry DOI: 10.7270/Q2J38T9M
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50155251 (3-[3-(2,3-Dihydro-1H-isoindol-5-ylcarbamoyl)-propi...) Show SMILES OC(=O)CCNC(=O)CCC(=O)Nc1ccc2CNCc2c1 Show InChI InChI=1S/C15H19N3O4/c19-13(17-6-5-15(21)22)3-4-14(20)18-12-2-1-10-8-16-9-11(10)7-12/h1-2,7,16H,3-6,8-9H2,(H,17,19)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description In vitro inhibition of human platelet aggregation in platelet rich plasma				Bioorg Med Chem Lett 14: 5533-5 (2004) Article DOI: 10.1016/j.bmcl.2004.09.002 BindingDB Entry DOI: 10.7270/Q2J38T9M
					More data for this Ligand-Target Pair