Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50036325   

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))	BDBM50035963 (5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...) Show SMILES NCCCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F Show InChI InChI=1S/C19H17F6N5OS/c20-18(21,22)12-5-3-4-11(8-12)14-10-32-17(29-14)30-15(19(23,24)25)13(9-28-30)16(31)27-7-2-1-6-26/h3-5,8-10H,1-2,6-7,26H2,(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of collagen-induced platelet aggregation				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035955 (5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...) Show SMILES CCN(CC)CCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F Show InChI InChI=1S/C22H23F6N5OS/c1-3-32(4-2)10-6-9-29-19(34)16-12-30-33(18(16)22(26,27)28)20-31-17(13-35-20)14-7-5-8-15(11-14)21(23,24)25/h5,7-8,11-13H,3-4,6,9-10H2,1-2H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of arachidonic acid-induced platelet aggregation				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035961 (1-[5-Bromo-4-(3-trifluoromethyl-phenyl)-thiazol-2-...) Show SMILES CCN(CC)CCCNC(=O)c1cnn(-c2nc(c(Br)s2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F Show InChI InChI=1S/C22H22BrF6N5OS/c1-3-33(4-2)10-6-9-30-19(35)15-12-31-34(17(15)22(27,28)29)20-32-16(18(23)36-20)13-7-5-8-14(11-13)21(24,25)26/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,30,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035961 (1-[5-Bromo-4-(3-trifluoromethyl-phenyl)-thiazol-2-...) Show SMILES CCN(CC)CCCNC(=O)c1cnn(-c2nc(c(Br)s2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F Show InChI InChI=1S/C22H22BrF6N5OS/c1-3-33(4-2)10-6-9-30-19(35)15-12-31-34(17(15)22(27,28)29)20-32-16(18(23)36-20)13-7-5-8-14(11-13)21(24,25)26/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,30,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of arachidonic acid-induced platelet aggregation				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035970 (3-(8-Guanidino-octanoylamino)-N-[2-(4-methoxy-phen...) Show SMILES COc1ccc(CCNC(=O)C(CC(O)=O)NC(=O)CCCCCCCNC(N)=N)cc1 Show InChI InChI=1S/C22H35N5O5/c1-32-17-10-8-16(9-11-17)12-14-25-21(31)18(15-20(29)30)27-19(28)7-5-3-2-4-6-13-26-22(23)24/h8-11,18H,2-7,12-15H2,1H3,(H,25,31)(H,27,28)(H,29,30)(H4,23,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of arachidonic acid-induced platelet aggregation				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035955 (5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...) Show SMILES CCN(CC)CCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F Show InChI InChI=1S/C22H23F6N5OS/c1-3-32(4-2)10-6-9-29-19(34)16-12-30-33(18(16)22(26,27)28)20-31-17(13-35-20)14-7-5-8-15(11-14)21(23,24)25/h5,7-8,11-13H,3-4,6,9-10H2,1-2H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of collagen-induced platelet aggregation				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035962 (5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...) Show SMILES FC(F)(F)c1c(cnn1-c1nc(cs1)-c1cccc(c1)C(F)(F)F)C(=O)NCCCN1CCCCC1 Show InChI InChI=1S/C23H23F6N5OS/c24-22(25,26)16-7-4-6-15(12-16)18-14-36-21(32-18)34-19(23(27,28)29)17(13-31-34)20(35)30-8-5-11-33-9-2-1-3-10-33/h4,6-7,12-14H,1-3,5,8-11H2,(H,30,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of collagen-induced platelet aggregation				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035960 (5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...) Show SMILES NCCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F Show InChI InChI=1S/C18H15F6N5OS/c19-17(20,21)11-4-1-3-10(7-11)13-9-31-16(28-13)29-14(18(22,23)24)12(8-27-29)15(30)26-6-2-5-25/h1,3-4,7-9H,2,5-6,25H2,(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of collagen-induced platelet aggregation				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035956 (5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...) Show SMILES CCCNCCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F Show InChI InChI=1S/C21H21F6N5OS/c1-2-7-28-8-4-9-29-18(33)15-11-30-32(17(15)21(25,26)27)19-31-16(12-34-19)13-5-3-6-14(10-13)20(22,23)24/h3,5-6,10-12,28H,2,4,7-9H2,1H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of collagen-induced platelet aggregation				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035961 (1-[5-Bromo-4-(3-trifluoromethyl-phenyl)-thiazol-2-...) Show SMILES CCN(CC)CCCNC(=O)c1cnn(-c2nc(c(Br)s2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F Show InChI InChI=1S/C22H22BrF6N5OS/c1-3-33(4-2)10-6-9-30-19(35)15-12-31-34(17(15)22(27,28)29)20-32-16(18(23)36-20)13-7-5-8-14(11-13)21(24,25)26/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,30,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of collagen-induced platelet aggregation				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035960 (5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...) Show SMILES NCCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F Show InChI InChI=1S/C18H15F6N5OS/c19-17(20,21)11-4-1-3-10(7-11)13-9-31-16(28-13)29-14(18(22,23)24)12(8-27-29)15(30)26-6-2-5-25/h1,3-4,7-9H,2,5-6,25H2,(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of arachidonic acid-induced platelet aggregation				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035956 (5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...) Show SMILES CCCNCCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F Show InChI InChI=1S/C21H21F6N5OS/c1-2-7-28-8-4-9-29-18(33)15-11-30-32(17(15)21(25,26)27)19-31-16(12-34-19)13-5-3-6-14(10-13)20(22,23)24/h3,5-6,10-12,28H,2,4,7-9H2,1H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of arachidonic acid-induced platelet aggregation				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035955 (5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...) Show SMILES CCN(CC)CCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F Show InChI InChI=1S/C22H23F6N5OS/c1-3-32(4-2)10-6-9-29-19(34)16-12-30-33(18(16)22(26,27)28)20-31-17(13-35-20)14-7-5-8-15(11-14)21(23,24)25/h5,7-8,11-13H,3-4,6,9-10H2,1-2H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035963 (5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...) Show SMILES NCCCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F Show InChI InChI=1S/C19H17F6N5OS/c20-18(21,22)12-5-3-4-11(8-12)14-10-32-17(29-14)30-15(19(23,24)25)13(9-28-30)16(31)27-7-2-1-6-26/h3-5,8-10H,1-2,6-7,26H2,(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of arachidonic acid-induced platelet aggregation				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM22360 (2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of arachidonic acid-induced platelet aggregation				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O |r| Show InChI InChI=1S/C15H27N7O8/c16-7(2-1-3-19-15(17)18)12(27)20-5-10(24)21-8(4-11(25)26)13(28)22-9(6-23)14(29)30/h7-9,23H,1-6,16H2,(H,20,27)(H,21,24)(H,22,28)(H,25,26)(H,29,30)(H4,17,18,19)/t7-,8-,9-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035970 (3-(8-Guanidino-octanoylamino)-N-[2-(4-methoxy-phen...) Show SMILES COc1ccc(CCNC(=O)C(CC(O)=O)NC(=O)CCCCCCCNC(N)=N)cc1 Show InChI InChI=1S/C22H35N5O5/c1-32-17-10-8-16(9-11-17)12-14-25-21(31)18(15-20(29)30)27-19(28)7-5-3-2-4-6-13-26-22(23)24/h8-11,18H,2-7,12-15H2,1H3,(H,25,31)(H,27,28)(H,29,30)(H4,23,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of collagen-induced platelet aggregation				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035970 (3-(8-Guanidino-octanoylamino)-N-[2-(4-methoxy-phen...) Show SMILES COc1ccc(CCNC(=O)C(CC(O)=O)NC(=O)CCCCCCCNC(N)=N)cc1 Show InChI InChI=1S/C22H35N5O5/c1-32-17-10-8-16(9-11-17)12-14-25-21(31)18(15-20(29)30)27-19(28)7-5-3-2-4-6-13-26-22(23)24/h8-11,18H,2-7,12-15H2,1H3,(H,25,31)(H,27,28)(H,29,30)(H4,23,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035956 (5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...) Show SMILES CCCNCCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F Show InChI InChI=1S/C21H21F6N5OS/c1-2-7-28-8-4-9-29-18(33)15-11-30-32(17(15)21(25,26)27)19-31-16(12-34-19)13-5-3-6-14(10-13)20(22,23)24/h3,5-6,10-12,28H,2,4,7-9H2,1H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035964 (5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...) Show SMILES CC(C)NCCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F Show InChI InChI=1S/C21H21F6N5OS/c1-12(2)28-7-4-8-29-18(33)15-10-30-32(17(15)21(25,26)27)19-31-16(11-34-19)13-5-3-6-14(9-13)20(22,23)24/h3,5-6,9-12,28H,4,7-8H2,1-2H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035972 (5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...) Show SMILES NCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F Show InChI InChI=1S/C17H13F6N5OS/c18-16(19,20)10-3-1-2-9(6-10)12-8-30-15(27-12)28-13(17(21,22)23)11(7-26-28)14(29)25-5-4-24/h1-3,6-8H,4-5,24H2,(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of thrombin-induced platelet aggregation at 50 uM				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035962 (5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...) Show SMILES FC(F)(F)c1c(cnn1-c1nc(cs1)-c1cccc(c1)C(F)(F)F)C(=O)NCCCN1CCCCC1 Show InChI InChI=1S/C23H23F6N5OS/c24-22(25,26)16-7-4-6-15(12-16)18-14-36-21(32-18)34-19(23(27,28)29)17(13-31-34)20(35)30-8-5-11-33-9-2-1-3-10-33/h4,6-7,12-14H,1-3,5,8-11H2,(H,30,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of arachidonic acid-induced platelet aggregation				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035960 (5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...) Show SMILES NCCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F Show InChI InChI=1S/C18H15F6N5OS/c19-17(20,21)11-4-1-3-10(7-11)13-9-31-16(28-13)29-14(18(22,23)24)12(8-27-29)15(30)26-6-2-5-25/h1,3-4,7-9H,2,5-6,25H2,(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O |r| Show InChI InChI=1S/C15H27N7O8/c16-7(2-1-3-19-15(17)18)12(27)20-5-10(24)21-8(4-11(25)26)13(28)22-9(6-23)14(29)30/h7-9,23H,1-6,16H2,(H,20,27)(H,21,24)(H,22,28)(H,25,26)(H,29,30)(H4,17,18,19)/t7-,8-,9-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of arachidonic acid-induced platelet aggregation				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035953 (5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...) Show SMILES CN(C)\C=N\CCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F Show InChI InChI=1S/C21H20F6N6OS/c1-32(2)12-28-7-4-8-29-18(34)15-10-30-33(17(15)21(25,26)27)19-31-16(11-35-19)13-5-3-6-14(9-13)20(22,23)24/h3,5-6,9-12H,4,7-8H2,1-2H3,(H,29,34)/b28-12+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O |r| Show InChI InChI=1S/C15H27N7O8/c16-7(2-1-3-19-15(17)18)12(27)20-5-10(24)21-8(4-11(25)26)13(28)22-9(6-23)14(29)30/h7-9,23H,1-6,16H2,(H,20,27)(H,21,24)(H,22,28)(H,25,26)(H,29,30)(H4,17,18,19)/t7-,8-,9-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of collagen-induced platelet aggregation				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035954 (5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...) Show SMILES NC(=N)NCCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F Show InChI InChI=1S/C19H17F6N7OS/c20-18(21,22)11-4-1-3-10(7-11)13-9-34-17(31-13)32-14(19(23,24)25)12(8-30-32)15(33)28-5-2-6-29-16(26)27/h1,3-4,7-9H,2,5-6H2,(H,28,33)(H4,26,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035963 (5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...) Show SMILES NCCCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F Show InChI InChI=1S/C19H17F6N5OS/c20-18(21,22)12-5-3-4-11(8-12)14-10-32-17(29-14)30-15(19(23,24)25)13(9-28-30)16(31)27-7-2-1-6-26/h3-5,8-10H,1-2,6-7,26H2,(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035967 (5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...) Show SMILES NC(=N)CCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F Show InChI InChI=1S/C19H16F6N6OS/c20-18(21,22)11-4-1-3-10(7-11)13-9-33-17(30-13)31-15(19(23,24)25)12(8-29-31)16(32)28-6-2-5-14(26)27/h1,3-4,7-9H,2,5-6H2,(H3,26,27)(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035957 (5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...) Show SMILES FC(F)(F)c1c(cnn1-c1nc(cs1)-c1cccc(c1)C(F)(F)F)C(=O)NCCCNC1CCCCC1 Show InChI InChI=1S/C24H25F6N5OS/c25-23(26,27)16-7-4-6-15(12-16)19-14-37-22(34-19)35-20(24(28,29)30)18(13-33-35)21(36)32-11-5-10-31-17-8-2-1-3-9-17/h4,6-7,12-14,17,31H,1-3,5,8-11H2,(H,32,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035962 (5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...) Show SMILES FC(F)(F)c1c(cnn1-c1nc(cs1)-c1cccc(c1)C(F)(F)F)C(=O)NCCCN1CCCCC1 Show InChI InChI=1S/C23H23F6N5OS/c24-22(25,26)16-7-4-6-15(12-16)18-14-36-21(32-18)34-19(23(27,28)29)17(13-31-34)20(35)30-8-5-11-33-9-2-1-3-10-33/h4,6-7,12-14H,1-3,5,8-11H2,(H,30,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035959 (5-Trifluoromethyl-1-[4-(4-trifluoromethyl-phenyl)-...) Show SMILES CCN(CC)CCCNC(=O)c1cnn(-c2nc(cs2)-c2ccc(cc2)C(F)(F)F)c1C(F)(F)F Show InChI InChI=1S/C22H23F6N5OS/c1-3-32(4-2)11-5-10-29-19(34)16-12-30-33(18(16)22(26,27)28)20-31-17(13-35-20)14-6-8-15(9-7-14)21(23,24)25/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035968 (1-[4-(4-Chloro-phenyl)-thiazol-2-yl]-5-trifluorome...) Show SMILES CCN(CC)CCCNC(=O)c1cnn(-c2nc(cs2)-c2ccc(Cl)cc2)c1C(F)(F)F Show InChI InChI=1S/C21H23ClF3N5OS/c1-3-29(4-2)11-5-10-26-19(31)16-12-27-30(18(16)21(23,24)25)20-28-17(13-32-20)14-6-8-15(22)9-7-14/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,26,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035958 (1-(4-Phenyl-thiazol-2-yl)-5-trifluoromethyl-1H-pyr...) Show SMILES CCN(CC)CCCNC(=O)c1cnn(-c2nc(cs2)-c2ccccc2)c1C(F)(F)F Show InChI InChI=1S/C21H24F3N5OS/c1-3-28(4-2)12-8-11-25-19(30)16-13-26-29(18(16)21(22,23)24)20-27-17(14-31-20)15-9-6-5-7-10-15/h5-7,9-10,13-14H,3-4,8,11-12H2,1-2H3,(H,25,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035969 (1-(4-m-Tolyl-thiazol-2-yl)-5-trifluoromethyl-1H-py...) Show SMILES CCN(CC)CCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(C)c2)c1C(F)(F)F Show InChI InChI=1S/C22H26F3N5OS/c1-4-29(5-2)11-7-10-26-20(31)17-13-27-30(19(17)22(23,24)25)21-28-18(14-32-21)16-9-6-8-15(3)12-16/h6,8-9,12-14H,4-5,7,10-11H2,1-3H3,(H,26,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50035965 (1-(4-p-Tolyl-thiazol-2-yl)-5-trifluoromethyl-1H-py...) Show SMILES CCN(CC)CCCNC(=O)c1cnn(-c2nc(cs2)-c2ccc(C)cc2)c1C(F)(F)F Show InChI InChI=1S/C22H26F3N5OS/c1-4-29(5-2)12-6-11-26-20(31)17-13-27-30(19(17)22(23,24)25)21-28-18(14-32-21)16-9-7-15(3)8-10-16/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,26,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM22360 (2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of collagen-induced platelet aggregation				J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8
					More data for this Ligand-Target Pair