Compile Data Set for Download or QSAR

Found 58 hits with Last Name = 'vassallo' and Initial = 'lm'   

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))	BDBM50078433 ((S)-2-Benzenesulfonylamino-3-{[5-(2-piperidin-4-yl...) Show SMILES OC(=O)[C@H](CNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H27N3O5S3/c27-22(25-14-18(23(28)29)26-34(30,31)17-4-2-1-3-5-17)21-13-20-19(33-21)12-16(32-20)7-6-15-8-10-24-11-9-15/h1-5,12-13,15,18,24,26H,6-11,14H2,(H,25,27)(H,28,29)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078436 ((S)-2-(2-Ethoxy-ethanesulfonylamino)-3-{[5-(2-pipe...) Show SMILES CCOCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)C(O)=O Show InChI InChI=1S/C21H31N3O6S3/c1-2-30-9-10-33(28,29)24-17(20(26)27)13-23-19(25)18-12-15-11-16(31-21(15)32-18)4-3-14-5-7-22-8-6-14/h11-12,14,17,22,24H,2-10,13H2,1H3,(H,23,25)(H,26,27)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078437 ((S)-3-{[5-(2-Piperidin-4-yl-ethyl)-thieno[2,3-b]th...) Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)NS(=O)(=O)c1cccnc1 Show InChI InChI=1S/C22H26N4O5S3/c27-20(25-13-18(21(28)29)26-34(30,31)17-2-1-7-24-12-17)19-11-15-10-16(32-22(15)33-19)4-3-14-5-8-23-9-6-14/h1-2,7,10-12,14,18,23,26H,3-6,8-9,13H2,(H,25,27)(H,28,29)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078440 ((S)-2-Benzenesulfonylamino-3-{[5-(2-piperidin-4-yl...) Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H27N3O5S3/c27-21(25-14-19(22(28)29)26-34(30,31)18-4-2-1-3-5-18)20-13-16-12-17(32-23(16)33-20)7-6-15-8-10-24-11-9-15/h1-5,12-13,15,19,24,26H,6-11,14H2,(H,25,27)(H,28,29)/t19-/m0/s1	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	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078431 ((S)-3-{[5-(2-Piperidin-4-yl-ethyl)-thieno[2,3-b]th...) Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)NS(=O)(=O)c1cccs1 Show InChI InChI=1S/C21H25N3O5S4/c25-19(23-12-16(20(26)27)24-33(28,29)18-2-1-9-30-18)17-11-14-10-15(31-21(14)32-17)4-3-13-5-7-22-8-6-13/h1-2,9-11,13,16,22,24H,3-8,12H2,(H,23,25)(H,26,27)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078445 ((S)-2-(Butane-1-sulfonylamino)-3-{[5-(2-piperidin-...) Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1)C(O)=O Show InChI InChI=1S/C21H31N3O5S3/c1-2-3-10-32(28,29)24-16(21(26)27)13-23-20(25)19-12-18-17(31-19)11-15(30-18)5-4-14-6-8-22-9-7-14/h11-12,14,16,22,24H,2-10,13H2,1H3,(H,23,25)(H,26,27)/t16-/m0/s1	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
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078435 ((S)-2-(2-Ethoxy-ethanesulfonylamino)-3-{[5-(2-pipe...) Show SMILES CCOCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1)C(O)=O Show InChI InChI=1S/C21H31N3O6S3/c1-2-30-9-10-33(28,29)24-16(21(26)27)13-23-20(25)19-12-18-17(32-19)11-15(31-18)4-3-14-5-7-22-8-6-14/h11-12,14,16,22,24H,2-10,13H2,1H3,(H,23,25)(H,26,27)/t16-/m0/s1	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
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004058 ((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...) Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078444 ((S)-2-(4-Chloro-benzenesulfonylamino)-3-{[5-(2-pip...) Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H26ClN3O5S3/c24-16-2-5-18(6-3-16)35(31,32)27-19(22(29)30)13-26-21(28)20-12-15-11-17(33-23(15)34-20)4-1-14-7-9-25-10-8-14/h2-3,5-6,11-12,14,19,25,27H,1,4,7-10,13H2,(H,26,28)(H,29,30)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078438 ((S)-3-{[5-(2-Piperidin-4-yl-ethyl)-thieno[3,2-b]th...) Show SMILES OC(=O)[C@H](CNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1)NS(=O)(=O)c1cccs1 Show InChI InChI=1S/C21H25N3O5S4/c25-20(23-12-15(21(26)27)24-33(28,29)19-2-1-9-30-19)18-11-17-16(32-18)10-14(31-17)4-3-13-5-7-22-8-6-13/h1-2,9-11,13,15,22,24H,3-8,12H2,(H,23,25)(H,26,27)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078449 ((S)-2-Methanesulfonylamino-3-{[5-(2-piperidin-4-yl...) Show SMILES CS(=O)(=O)N[C@@H](CNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1)C(O)=O Show InChI InChI=1S/C18H25N3O5S3/c1-29(25,26)21-13(18(23)24)10-20-17(22)16-9-15-14(28-16)8-12(27-15)3-2-11-4-6-19-7-5-11/h8-9,11,13,19,21H,2-7,10H2,1H3,(H,20,22)(H,23,24)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078441 ((S)-3-{[5-(2-Piperidin-4-yl-ethyl)-thieno[3,2-b]th...) Show SMILES OC(=O)[C@H](CNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1)NS(=O)(=O)c1cccnc1 Show InChI InChI=1S/C22H26N4O5S3/c27-21(25-13-17(22(28)29)26-34(30,31)16-2-1-7-24-12-16)20-11-19-18(33-20)10-15(32-19)4-3-14-5-8-23-9-6-14/h1-2,7,10-12,14,17,23,26H,3-6,8-9,13H2,(H,25,27)(H,28,29)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078442 ((S)-3-{[3-Oxo-2-(2-piperidin-4-yl-ethyl)-2,3-dihyd...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)NS(=O)(=O)c1cccnc1 Show InChI InChI=1S/C24H29N5O6S/c30-22(27-14-21(24(32)33)28-36(34,35)19-2-1-8-26-13-19)17-3-4-18-15-29(23(31)20(18)12-17)11-7-16-5-9-25-10-6-16/h1-4,8,12-13,16,21,25,28H,5-7,9-11,14-15H2,(H,27,30)(H,32,33)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078439 ((S)-2-Methanesulfonylamino-3-{[5-(2-piperidin-4-yl...) Show SMILES CS(=O)(=O)N[C@@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)C(O)=O Show InChI InChI=1S/C18H25N3O5S3/c1-29(25,26)21-14(17(23)24)10-20-16(22)15-9-12-8-13(27-18(12)28-15)3-2-11-4-6-19-7-5-11/h8-9,11,14,19,21H,2-7,10H2,1H3,(H,20,22)(H,23,24)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50422297 (CHEMBL1229688) Show SMILES OC(=O)[C@@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)NS(=O)(=O)c1cccnc1 |r| Show InChI InChI=1S/C22H26N4O5S3/c27-20(25-13-18(21(28)29)26-34(30,31)17-2-1-7-24-12-17)19-11-15-10-16(32-22(15)33-19)4-3-14-5-8-23-9-6-14/h1-2,7,10-12,14,18,23,26H,3-6,8-9,13H2,(H,25,27)(H,28,29)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078432 ((S)-3-[(5-Piperidin-4-yl-thieno[2,3-b]thiophene-2-...) Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(sc2s1)C1CCNCC1)NS(=O)(=O)c1cccnc1 Show InChI InChI=1S/C20H22N4O5S3/c25-18(17-9-13-8-16(30-20(13)31-17)12-3-6-21-7-4-12)23-11-15(19(26)27)24-32(28,29)14-2-1-5-22-10-14/h1-2,5,8-10,12,15,21,24H,3-4,6-7,11H2,(H,23,25)(H,26,27)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078447 ((S)-3-{[5-(3-Piperidin-4-yl-propyl)-thieno[2,3-b]t...) Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(CCCC3CCNCC3)sc2s1)NS(=O)(=O)c1cccnc1 Show InChI InChI=1S/C23H28N4O5S3/c28-21(26-14-19(22(29)30)27-35(31,32)18-5-2-8-25-13-18)20-12-16-11-17(33-23(16)34-20)4-1-3-15-6-9-24-10-7-15/h2,5,8,11-13,15,19,24,27H,1,3-4,6-7,9-10,14H2,(H,26,28)(H,29,30)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078448 (3-{[3-Oxo-2-(2-piperidin-4-yl-ethyl)-2,3-dihydro-1...) Show SMILES OC(=O)CCNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1 Show InChI InChI=1S/C19H25N3O4/c23-17(24)5-9-21-18(25)14-1-2-15-12-22(19(26)16(15)11-14)10-6-13-3-7-20-8-4-13/h1-2,11,13,20H,3-10,12H2,(H,21,25)(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078443 ((S)-2-(Butane-1-sulfonylamino)-3-{[5-(2-piperidin-...) Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)C(O)=O Show InChI InChI=1S/C21H31N3O5S3/c1-2-3-10-32(28,29)24-17(20(26)27)13-23-19(25)18-12-15-11-16(30-21(15)31-18)5-4-14-6-8-22-9-7-14/h11-12,14,17,22,24H,2-10,13H2,1H3,(H,23,25)(H,26,27)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50422296 (CHEMBL2115074) Show SMILES OC(=O)[C@@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H27N3O5S3/c27-21(25-14-19(22(28)29)26-34(30,31)18-4-2-1-3-5-18)20-13-16-12-17(32-23(16)33-20)7-6-15-8-10-24-11-9-15/h1-5,12-13,15,19,24,26H,6-11,14H2,(H,25,27)(H,28,29)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078446 (3-{[5-(2-Piperidin-4-yl-ethyl)-thieno[2,3-b]thioph...) Show SMILES OC(=O)CCNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1 Show InChI InChI=1S/C17H22N2O3S2/c20-15(21)5-8-19-16(22)14-10-12-9-13(23-17(12)24-14)2-1-11-3-6-18-7-4-11/h9-11,18H,1-8H2,(H,19,22)(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078434 (3-{[5-(2-Piperidin-4-yl-ethyl)-thieno[3,2-b]thioph...) Show SMILES OC(=O)CCNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1 Show InChI InChI=1S/C17H22N2O3S2/c20-16(21)5-8-19-17(22)15-10-14-13(24-15)9-12(23-14)2-1-11-3-6-18-7-4-11/h9-11,18H,1-8H2,(H,19,22)(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50069439 ((S)-2-(Butane-1-sulfonylamino)-3-{[3-oxo-2-(2-pipe...) Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)C(O)=O Show InChI InChI=1S/C23H34N4O6S/c1-2-3-12-34(32,33)26-20(23(30)31)14-25-21(28)17-4-5-18-15-27(22(29)19(18)13-17)11-8-16-6-9-24-10-7-16/h4-5,13,16,20,24,26H,2-3,6-12,14-15H2,1H3,(H,25,28)(H,30,31)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against alpha IIb beta3 integrin in the presence of L-736622.				Bioorg Med Chem Lett 6: 2519-2524 (1996) Article DOI: 10.1016/0960-894X(96)00473-8 BindingDB Entry DOI: 10.7270/Q2SB45Q6
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50288134 ((S)-2-(3-Benzyl-ureido)-3-{[3-oxo-2-(2-piperidin-4...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)NC(=O)NCc1ccccc1 Show InChI InChI=1S/C27H33N5O5/c33-24(29-16-23(26(35)36)31-27(37)30-15-19-4-2-1-3-5-19)20-6-7-21-17-32(25(34)22(21)14-20)13-10-18-8-11-28-12-9-18/h1-7,14,18,23,28H,8-13,15-17H2,(H,29,33)(H,35,36)(H2,30,31,37)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against alpha IIb beta3 integrin in the presence of L-736622.				Bioorg Med Chem Lett 6: 2519-2524 (1996) Article DOI: 10.1016/0960-894X(96)00473-8 BindingDB Entry DOI: 10.7270/Q2SB45Q6
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50288135 ((S)-2-aminosulfonylbutylamino-3-{[3-oxo-2-(2-piper...) Show SMILES CCCCNS(=O)(=O)N[C@@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)C(O)=O Show InChI InChI=1S/C23H35N5O6S/c1-2-3-9-26-35(33,34)27-20(23(31)32)14-25-21(29)17-4-5-18-15-28(22(30)19(18)13-17)12-8-16-6-10-24-11-7-16/h4-5,13,16,20,24,26-27H,2-3,6-12,14-15H2,1H3,(H,25,29)(H,31,32)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against alpha IIb beta3 integrin in the presence of L-736622.				Bioorg Med Chem Lett 6: 2519-2524 (1996) Article DOI: 10.1016/0960-894X(96)00473-8 BindingDB Entry DOI: 10.7270/Q2SB45Q6
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50288139 (4-((S)-1-Carboxy-2-{[3-oxo-2-(2-piperidin-4-yl-eth...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)NS(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C26H30N4O8S/c31-23(28-14-22(26(35)36)29-39(37,38)20-5-3-17(4-6-20)25(33)34)18-1-2-19-15-30(24(32)21(19)13-18)12-9-16-7-10-27-11-8-16/h1-6,13,16,22,27,29H,7-12,14-15H2,(H,28,31)(H,33,34)(H,35,36)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against alpha IIb beta3 integrin in the presence of L-736622.				Bioorg Med Chem Lett 6: 2519-2524 (1996) Article DOI: 10.1016/0960-894X(96)00473-8 BindingDB Entry DOI: 10.7270/Q2SB45Q6
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50288136 (2-((S)-1-Carboxy-2-{[3-oxo-2-(2-piperidin-4-yl-eth...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)NS(=O)(=O)c1ccccc1C(O)=O Show InChI InChI=1S/C26H30N4O8S/c31-23(28-14-21(26(35)36)29-39(37,38)22-4-2-1-3-19(22)25(33)34)17-5-6-18-15-30(24(32)20(18)13-17)12-9-16-7-10-27-11-8-16/h1-6,13,16,21,27,29H,7-12,14-15H2,(H,28,31)(H,33,34)(H,35,36)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against alpha IIb beta3 integrin in the presence of L-736622.				Bioorg Med Chem Lett 6: 2519-2524 (1996) Article DOI: 10.1016/0960-894X(96)00473-8 BindingDB Entry DOI: 10.7270/Q2SB45Q6
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50288137 ((S)-2-Methanesulfonylamino-3-{[3-oxo-2-(2-piperidi...) Show SMILES CS(=O)(=O)N[C@@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)C(O)=O Show InChI InChI=1S/C20H28N4O6S/c1-31(29,30)23-17(20(27)28)11-22-18(25)14-2-3-15-12-24(19(26)16(15)10-14)9-6-13-4-7-21-8-5-13/h2-3,10,13,17,21,23H,4-9,11-12H2,1H3,(H,22,25)(H,27,28)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against alpha IIb beta3 integrin in the presence of L-736622.				Bioorg Med Chem Lett 6: 2519-2524 (1996) Article DOI: 10.1016/0960-894X(96)00473-8 BindingDB Entry DOI: 10.7270/Q2SB45Q6
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50288131 ((S)-3-{[3-Oxo-2-(2-piperidin-4-yl-ethyl)-2,3-dihyd...) Show SMILES CCCCCS(=O)(=O)N[C@@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)C(O)=O Show InChI InChI=1S/C24H36N4O6S/c1-2-3-4-13-35(33,34)27-21(24(31)32)15-26-22(29)18-5-6-19-16-28(23(30)20(19)14-18)12-9-17-7-10-25-11-8-17/h5-6,14,17,21,25,27H,2-4,7-13,15-16H2,1H3,(H,26,29)(H,31,32)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against alpha IIb beta3 integrin in the presence of L-736622.				Bioorg Med Chem Lett 6: 2519-2524 (1996) Article DOI: 10.1016/0960-894X(96)00473-8 BindingDB Entry DOI: 10.7270/Q2SB45Q6
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004058 ((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...) Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against alpha IIb beta3 integrin in the presence of L-736622.				Bioorg Med Chem Lett 6: 2519-2524 (1996) Article DOI: 10.1016/0960-894X(96)00473-8 BindingDB Entry DOI: 10.7270/Q2SB45Q6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50288140 ((S)-2-(3-Butyl-ureido)-3-{[3-oxo-2-(2-piperidin-4-...) Show SMILES CCCCNC(=O)N[C@@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)C(O)=O Show InChI InChI=1S/C24H35N5O5/c1-2-3-9-26-24(34)28-20(23(32)33)14-27-21(30)17-4-5-18-15-29(22(31)19(18)13-17)12-8-16-6-10-25-11-7-16/h4-5,13,16,20,25H,2-3,6-12,14-15H2,1H3,(H,27,30)(H,32,33)(H2,26,28,34)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against alpha IIb beta3 integrin in the presence of L-736622.				Bioorg Med Chem Lett 6: 2519-2524 (1996) Article DOI: 10.1016/0960-894X(96)00473-8 BindingDB Entry DOI: 10.7270/Q2SB45Q6
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50288141 ((S)-2-(2-Ethoxy-ethanesulfonylamino)-3-{[3-oxo-2-(...) Show SMILES CCOCCS(=O)(=O)N[C@@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)C(O)=O Show InChI InChI=1S/C23H34N4O7S/c1-2-34-11-12-35(32,33)26-20(23(30)31)14-25-21(28)17-3-4-18-15-27(22(29)19(18)13-17)10-7-16-5-8-24-9-6-16/h3-4,13,16,20,24,26H,2,5-12,14-15H2,1H3,(H,25,28)(H,30,31)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against alpha IIb beta3 integrin in the presence of L-736622.				Bioorg Med Chem Lett 6: 2519-2524 (1996) Article DOI: 10.1016/0960-894X(96)00473-8 BindingDB Entry DOI: 10.7270/Q2SB45Q6
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50288132 ((S)-2-Hexanoylamino-3-{[3-oxo-2-(2-piperidin-4-yl-...) Show SMILES CCCCCC(=O)N[C@@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)C(O)=O Show InChI InChI=1S/C25H36N4O5/c1-2-3-4-5-22(30)28-21(25(33)34)15-27-23(31)18-6-7-19-16-29(24(32)20(19)14-18)13-10-17-8-11-26-12-9-17/h6-7,14,17,21,26H,2-5,8-13,15-16H2,1H3,(H,27,31)(H,28,30)(H,33,34)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against alpha IIb beta3 integrin in the presence of L-736622.				Bioorg Med Chem Lett 6: 2519-2524 (1996) Article DOI: 10.1016/0960-894X(96)00473-8 BindingDB Entry DOI: 10.7270/Q2SB45Q6
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078448 (3-{[3-Oxo-2-(2-piperidin-4-yl-ethyl)-2,3-dihydro-1...) Show SMILES OC(=O)CCNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1 Show InChI InChI=1S/C19H25N3O4/c23-17(24)5-9-21-18(25)14-1-2-15-12-22(19(26)16(15)11-14)10-6-13-3-7-20-8-4-13/h1-2,11,13,20H,3-10,12H2,(H,21,25)(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against alpha IIb beta3 integrin in the presence of L-736622.				Bioorg Med Chem Lett 6: 2519-2524 (1996) Article DOI: 10.1016/0960-894X(96)00473-8 BindingDB Entry DOI: 10.7270/Q2SB45Q6
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078442 ((S)-3-{[3-Oxo-2-(2-piperidin-4-yl-ethyl)-2,3-dihyd...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)NS(=O)(=O)c1cccnc1 Show InChI InChI=1S/C24H29N5O6S/c30-22(27-14-21(24(32)33)28-36(34,35)19-2-1-8-26-13-19)17-3-4-18-15-29(23(31)20(18)12-17)11-7-16-5-9-25-10-6-16/h1-4,8,12-13,16,21,25,28H,5-7,9-11,14-15H2,(H,27,30)(H,32,33)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against alpha IIb beta3 integrin in the presence of L-736622.				Bioorg Med Chem Lett 6: 2519-2524 (1996) Article DOI: 10.1016/0960-894X(96)00473-8 BindingDB Entry DOI: 10.7270/Q2SB45Q6
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50069439 ((S)-2-(Butane-1-sulfonylamino)-3-{[3-oxo-2-(2-pipe...) Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)C(O)=O Show InChI InChI=1S/C23H34N4O6S/c1-2-3-12-34(32,33)26-20(23(30)31)14-25-21(28)17-4-5-18-15-27(22(29)19(18)13-17)11-8-16-6-9-24-10-7-16/h4-5,13,16,20,24,26H,2-3,6-12,14-15H2,1H3,(H,25,28)(H,30,31)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against alpha IIb beta3 integrin in the presence of L-736622.				Bioorg Med Chem Lett 6: 2519-2524 (1996) Article DOI: 10.1016/0960-894X(96)00473-8 BindingDB Entry DOI: 10.7270/Q2SB45Q6
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50422297 (CHEMBL1229688) Show SMILES OC(=O)[C@@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)NS(=O)(=O)c1cccnc1 |r| Show InChI InChI=1S/C22H26N4O5S3/c27-20(25-13-18(21(28)29)26-34(30,31)17-2-1-7-24-12-17)19-11-15-10-16(32-22(15)33-19)4-3-14-5-8-23-9-6-14/h1-2,7,10-12,14,18,23,26H,3-6,8-9,13H2,(H,25,27)(H,28,29)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50288133 ((S)-3-{[3-Oxo-2-(2-piperidin-4-yl-ethyl)-2,3-dihyd...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)NS(=O)(=O)c1cccs1 Show InChI InChI=1S/C23H28N4O6S2/c28-21(25-13-19(23(30)31)26-35(32,33)20-2-1-11-34-20)16-3-4-17-14-27(22(29)18(17)12-16)10-7-15-5-8-24-9-6-15/h1-4,11-12,15,19,24,26H,5-10,13-14H2,(H,25,28)(H,30,31)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against alpha IIb beta3 integrin in the presence of L-736622.				Bioorg Med Chem Lett 6: 2519-2524 (1996) Article DOI: 10.1016/0960-894X(96)00473-8 BindingDB Entry DOI: 10.7270/Q2SB45Q6
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50288138 ((S)-2-(2-Methyl-propane-1-sulfonylamino)-3-{[3-oxo...) Show SMILES CC(C)CS(=O)(=O)N[C@@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)C(O)=O Show InChI InChI=1S/C23H34N4O6S/c1-15(2)14-34(32,33)26-20(23(30)31)12-25-21(28)17-3-4-18-13-27(22(29)19(18)11-17)10-7-16-5-8-24-9-6-16/h3-4,11,15-16,20,24,26H,5-10,12-14H2,1-2H3,(H,25,28)(H,30,31)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against alpha IIb beta3 integrin in the presence of L-736622.				Bioorg Med Chem Lett 6: 2519-2524 (1996) Article DOI: 10.1016/0960-894X(96)00473-8 BindingDB Entry DOI: 10.7270/Q2SB45Q6
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50288142 ((S)-3-{[3-Oxo-2-(2-piperidin-4-yl-ethyl)-2,3-dihyd...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C26H32N4O6S/c31-24(28-15-23(26(33)34)29-37(35,36)17-19-4-2-1-3-5-19)20-6-7-21-16-30(25(32)22(21)14-20)13-10-18-8-11-27-12-9-18/h1-7,14,18,23,27,29H,8-13,15-17H2,(H,28,31)(H,33,34)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against alpha IIb beta3 integrin in the presence of L-736622.				Bioorg Med Chem Lett 6: 2519-2524 (1996) Article DOI: 10.1016/0960-894X(96)00473-8 BindingDB Entry DOI: 10.7270/Q2SB45Q6
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078448 (3-{[3-Oxo-2-(2-piperidin-4-yl-ethyl)-2,3-dihydro-1...) Show SMILES OC(=O)CCNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1 Show InChI InChI=1S/C19H25N3O4/c23-17(24)5-9-21-18(25)14-1-2-15-12-22(19(26)16(15)11-14)10-6-13-3-7-20-8-4-13/h1-2,11,13,20H,3-10,12H2,(H,21,25)(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078444 ((S)-2-(4-Chloro-benzenesulfonylamino)-3-{[5-(2-pip...) Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H26ClN3O5S3/c24-16-2-5-18(6-3-16)35(31,32)27-19(22(29)30)13-26-21(28)20-12-15-11-17(33-23(15)34-20)4-1-14-7-9-25-10-8-14/h2-3,5-6,11-12,14,19,25,27H,1,4,7-10,13H2,(H,26,28)(H,29,30)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.0260	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004058 ((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...) Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078440 ((S)-2-Benzenesulfonylamino-3-{[5-(2-piperidin-4-yl...) Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H27N3O5S3/c27-21(25-14-19(22(28)29)26-34(30,31)18-4-2-1-3-5-18)20-13-16-12-17(32-23(16)33-20)7-6-15-8-10-24-11-9-15/h1-5,12-13,15,19,24,26H,6-11,14H2,(H,25,27)(H,28,29)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.0230	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078445 ((S)-2-(Butane-1-sulfonylamino)-3-{[5-(2-piperidin-...) Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1)C(O)=O Show InChI InChI=1S/C21H31N3O5S3/c1-2-3-10-32(28,29)24-16(21(26)27)13-23-20(25)19-12-18-17(31-19)11-15(30-18)5-4-14-6-8-22-9-7-14/h11-12,14,16,22,24H,2-10,13H2,1H3,(H,23,25)(H,26,27)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078447 ((S)-3-{[5-(3-Piperidin-4-yl-propyl)-thieno[2,3-b]t...) Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(CCCC3CCNCC3)sc2s1)NS(=O)(=O)c1cccnc1 Show InChI InChI=1S/C23H28N4O5S3/c28-21(26-14-19(22(29)30)27-35(31,32)18-5-2-8-25-13-18)20-12-16-11-17(33-23(16)34-20)4-1-3-15-6-9-24-10-7-15/h2,5,8,11-13,15,19,24,27H,1,3-4,6-7,9-10,14H2,(H,26,28)(H,29,30)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078435 ((S)-2-(2-Ethoxy-ethanesulfonylamino)-3-{[5-(2-pipe...) Show SMILES CCOCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1)C(O)=O Show InChI InChI=1S/C21H31N3O6S3/c1-2-30-9-10-33(28,29)24-16(21(26)27)13-23-20(25)19-12-18-17(32-19)11-15(31-18)4-3-14-5-7-22-8-6-14/h11-12,14,16,22,24H,2-10,13H2,1H3,(H,23,25)(H,26,27)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of L-762,745 from Fibrinogen Receptor of human platelets by flow cytometry				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078441 ((S)-3-{[5-(2-Piperidin-4-yl-ethyl)-thieno[3,2-b]th...) Show SMILES OC(=O)[C@H](CNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1)NS(=O)(=O)c1cccnc1 Show InChI InChI=1S/C22H26N4O5S3/c27-21(25-13-17(22(28)29)26-34(30,31)16-2-1-7-24-12-16)20-11-19-18(33-20)10-15(32-19)4-3-14-5-8-23-9-6-14/h1-2,7,10-12,14,17,23,26H,3-6,8-9,13H2,(H,25,27)(H,28,29)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of L-762,745 from Fibrinogen Receptor of human platelets by flow cytometry				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078442 ((S)-3-{[3-Oxo-2-(2-piperidin-4-yl-ethyl)-2,3-dihyd...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)NS(=O)(=O)c1cccnc1 Show InChI InChI=1S/C24H29N5O6S/c30-22(27-14-21(24(32)33)28-36(34,35)19-2-1-8-26-13-19)17-3-4-18-15-29(23(31)20(18)12-17)11-7-16-5-9-25-10-6-16/h1-4,8,12-13,16,21,25,28H,5-7,9-11,14-15H2,(H,27,30)(H,32,33)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078443 ((S)-2-(Butane-1-sulfonylamino)-3-{[5-(2-piperidin-...) Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)C(O)=O Show InChI InChI=1S/C21H31N3O5S3/c1-2-3-10-32(28,29)24-17(20(26)27)13-23-19(25)18-12-15-11-16(30-21(15)31-18)5-4-14-6-8-22-9-7-14/h11-12,14,17,22,24H,2-10,13H2,1H3,(H,23,25)(H,26,27)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of L-762,745 from Fibrinogen Receptor of human platelets by flow cytometry				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair

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