Compile Data Set for Download or QSAR

Found 66 hits Enz. Inhib. hit(s) with all data for entry = 50005668   

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))	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 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 Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039593 ((S)-3-[4-(4-Piperidin-4-yl-butoxy)-phenyl]-2-(thio...) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)NS(=O)(=O)c1cccs1 Show InChI InChI=1S/C22H30N2O5S2/c25-22(26)20(24-31(27,28)21-5-3-15-30-21)16-18-6-8-19(9-7-18)29-14-2-1-4-17-10-12-23-13-11-17/h3,5-9,15,17,20,23-24H,1-2,4,10-14,16H2,(H,25,26)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039590 ((S)-2-Benzenesulfonylamino-3-[4-(4-piperidin-4-yl-...) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H32N2O5S/c27-24(28)23(26-32(29,30)22-7-2-1-3-8-22)18-20-9-11-21(12-10-20)31-17-5-4-6-19-13-15-25-16-14-19/h1-3,7-12,19,23,25-26H,4-6,13-18H2,(H,27,28)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004071 ((S)-2-Phenylmethanesulfonylamino-3-[4-(4-piperidin...) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C25H34N2O5S/c28-25(29)24(27-33(30,31)19-22-7-2-1-3-8-22)18-21-9-11-23(12-10-21)32-17-5-4-6-20-13-15-26-16-14-20/h1-3,7-12,20,24,26-27H,4-6,13-19H2,(H,28,29)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039592 ((S)-3-[4-(4-Piperidin-4-yl-butoxy)-phenyl]-2-(prop...) Show SMILES CCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C21H34N2O5S/c1-2-15-29(26,27)23-20(21(24)25)16-18-6-8-19(9-7-18)28-14-4-3-5-17-10-12-22-13-11-17/h6-9,17,20,22-23H,2-5,10-16H2,1H3,(H,24,25)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039580 ((S)-2-(2-Phenyl-ethanesulfonylamino)-3-[4-(4-piper...) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)NS(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C26H36N2O5S/c29-26(30)25(28-34(31,32)19-15-21-6-2-1-3-7-21)20-23-9-11-24(12-10-23)33-18-5-4-8-22-13-16-27-17-14-22/h1-3,6-7,9-12,22,25,27-28H,4-5,8,13-20H2,(H,29,30)/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004061 ((S)-2-Hexanoylamino-3-[4-(4-piperidin-4-yl-butoxy)...) Show SMILES CCCCCC(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C24H38N2O4/c1-2-3-4-8-23(27)26-22(24(28)29)18-20-9-11-21(12-10-20)30-17-6-5-7-19-13-15-25-16-14-19/h9-12,19,22,25H,2-8,13-18H2,1H3,(H,26,27)(H,28,29)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039576 ((S)-2-((E)-2-Phenyl-ethenesulfonylamino)-3-[4-(4-p...) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)NS(=O)(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C26H34N2O5S/c29-26(30)25(28-34(31,32)19-15-21-6-2-1-3-7-21)20-23-9-11-24(12-10-23)33-18-5-4-8-22-13-16-27-17-14-22/h1-3,6-7,9-12,15,19,22,25,27-28H,4-5,8,13-14,16-18,20H2,(H,29,30)/b19-15+/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039572 ((S)-2-Pentanoylamino-3-[4-(4-piperidin-4-yl-butoxy...) Show SMILES CCCCC(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C23H36N2O4/c1-2-3-7-22(26)25-21(23(27)28)17-19-8-10-20(11-9-19)29-16-5-4-6-18-12-14-24-15-13-18/h8-11,18,21,24H,2-7,12-17H2,1H3,(H,25,26)(H,27,28)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039591 ((S)-2-Methanesulfonylamino-3-[4-(4-piperidin-4-yl-...) Show SMILES CS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C19H30N2O5S/c1-27(24,25)21-18(19(22)23)14-16-5-7-17(8-6-16)26-13-3-2-4-15-9-11-20-12-10-15/h5-8,15,18,20-21H,2-4,9-14H2,1H3,(H,22,23)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039595 ((S)-2-(3-Phenyl-propionylamino)-3-[4-(4-piperidin-...) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)NC(=O)CCc1ccccc1 Show InChI InChI=1S/C27H36N2O4/c30-26(14-11-21-6-2-1-3-7-21)29-25(27(31)32)20-23-9-12-24(13-10-23)33-19-5-4-8-22-15-17-28-18-16-22/h1-3,6-7,9-10,12-13,22,25,28H,4-5,8,11,14-20H2,(H,29,30)(H,31,32)/t25-/m0/s1	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039570 ((S)-3-[4-(4-Piperidin-4-yl-butoxy)-phenyl]-2-propi...) Show SMILES CCC(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C21H32N2O4/c1-2-20(24)23-19(21(25)26)15-17-6-8-18(9-7-17)27-14-4-3-5-16-10-12-22-13-11-16/h6-9,16,19,22H,2-5,10-15H2,1H3,(H,23,24)(H,25,26)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039569 ((S)-3-(Butane-1-sulfonylamino)-4-[4-(4-piperidin-4...) Show SMILES CCCCS(=O)(=O)N[C@H](CC(O)=O)Cc1ccc(OCCCCC2CCNCC2)cc1 Show InChI InChI=1S/C23H38N2O5S/c1-2-3-16-31(28,29)25-21(18-23(26)27)17-20-7-9-22(10-8-20)30-15-5-4-6-19-11-13-24-14-12-19/h7-10,19,21,24-25H,2-6,11-18H2,1H3,(H,26,27)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039586 ((S)-2-Benzyloxycarbonylamino-3-[4-((E)-4-piperidin...) Show SMILES OC(=O)[C@H](Cc1ccc(OC\C=C\CC2CCNCC2)cc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H32N2O5/c29-25(30)24(28-26(31)33-19-22-7-2-1-3-8-22)18-21-9-11-23(12-10-21)32-17-5-4-6-20-13-15-27-16-14-20/h1-5,7-12,20,24,27H,6,13-19H2,(H,28,31)(H,29,30)/b5-4+/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004060 ((S)-2-Benzyloxycarbonylamino-3-[4-(4-piperidin-4-y...) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H34N2O5/c29-25(30)24(28-26(31)33-19-22-7-2-1-3-8-22)18-21-9-11-23(12-10-21)32-17-5-4-6-20-13-15-27-16-14-20/h1-3,7-12,20,24,27H,4-6,13-19H2,(H,28,31)(H,29,30)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039588 ((S)-2-Benzyloxycarbonylamino-3-[4-(4-piperazin-1-y...) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCN2CCNCC2)cc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C25H33N3O5/c29-24(30)23(27-25(31)33-19-21-6-2-1-3-7-21)18-20-8-10-22(11-9-20)32-17-5-4-14-28-15-12-26-13-16-28/h1-3,6-11,23,26H,4-5,12-19H2,(H,27,31)(H,29,30)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039597 ((S)-2-Acetylamino-3-[4-(4-piperidin-4-yl-butoxy)-p...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C20H30N2O4/c1-15(23)22-19(20(24)25)14-17-5-7-18(8-6-17)26-13-3-2-4-16-9-11-21-12-10-16/h5-8,16,19,21H,2-4,9-14H2,1H3,(H,22,23)(H,24,25)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	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 Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039568 ((S)-3-(Butane-1-sulfonylamino)-4-[4-(3-piperidin-4...) Show SMILES CCCCS(=O)(=O)N[C@H](CC(O)=O)Cc1ccc(OCCCC2CCNCC2)cc1 Show InChI InChI=1S/C22H36N2O5S/c1-2-3-15-30(27,28)24-20(17-22(25)26)16-19-6-8-21(9-7-19)29-14-4-5-18-10-12-23-13-11-18/h6-9,18,20,23-24H,2-5,10-17H2,1H3,(H,25,26)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039601 ((4S,7R,13R,16S)-16-Acetylamino-7-carboxymethyl-13-...) Show SMILES CC(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(O)=O Show InChI InChI=1S/C20H32N8O9S2/c1-9(29)25-12-7-38-39-8-13(19(36)37)28-17(34)11(5-15(31)32)26-14(30)6-24-16(33)10(27-18(12)35)3-2-4-23-20(21)22/h10-13H,2-8H2,1H3,(H,24,33)(H,25,29)(H,26,30)(H,27,35)(H,28,34)(H,31,32)(H,36,37)(H4,21,22,23)/t10-,11-,12-,13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004065 ((S)-3-[4-(6-Amino-hexyloxy)-phenyl]-2-(butane-1-su...) Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCCCN)cc1)C(O)=O Show InChI InChI=1S/C19H32N2O5S/c1-2-3-14-27(24,25)21-18(19(22)23)15-16-8-10-17(11-9-16)26-13-7-5-4-6-12-20/h8-11,18,21H,2-7,12-15,20H2,1H3,(H,22,23)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039584 ((R)-2-(Butane-1-sulfonylamino)-3-[4-(4-piperidin-4...) 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-/m1/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	800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039577 ((S)-3-Benzyloxycarbonylamino-4-[4-(3-piperidin-4-y...) Show SMILES OC(=O)C[C@H](Cc1ccc(OCCCC2CCNCC2)cc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H34N2O5/c29-25(30)18-23(28-26(31)33-19-22-5-2-1-3-6-22)17-21-8-10-24(11-9-21)32-16-4-7-20-12-14-27-15-13-20/h1-3,5-6,8-11,20,23,27H,4,7,12-19H2,(H,28,31)(H,29,30)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039571 ((S)-2-Benzyloxycarbonylamino-3-[4-(5-piperazin-1-y...) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCCN2CCNCC2)cc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H35N3O5/c30-25(31)24(28-26(32)34-20-22-7-3-1-4-8-22)19-21-9-11-23(12-10-21)33-18-6-2-5-15-29-16-13-27-14-17-29/h1,3-4,7-12,24,27H,2,5-6,13-20H2,(H,28,32)(H,30,31)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039581 ((S)-2-Hexanoylamino-3-[4-(5-piperidin-4-yl-pentyl)...) Show SMILES CCCCCC(=O)N[C@@H](Cc1ccc(CCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C25H40N2O3/c1-2-3-5-10-24(28)27-23(25(29)30)19-22-13-11-20(12-14-22)8-6-4-7-9-21-15-17-26-18-16-21/h11-14,21,23,26H,2-10,15-19H2,1H3,(H,27,28)(H,29,30)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039573 (2-[1-[1-amino-4-amino(imino)methylamino-(1S)-butyl...) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C23H32N8O7/c24-14(5-3-7-27-23(25)26)20(35)29-11-18(32)30-16(9-19(33)34)21(36)31-17(22(37)38)8-12-10-28-15-6-2-1-4-13(12)15/h1-2,4,6,10,14,16-17,28H,3,5,7-9,11,24H2,(H,29,35)(H,30,32)(H,31,36)(H,33,34)(H,37,38)(H4,25,26,27)/t14-,16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004066 ((S)-3-[4-(6-Amino-hexyloxy)-phenyl]-2-phenylmethan...) Show SMILES NCCCCCCOc1ccc(C[C@H](NS(=O)(=O)Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C22H30N2O5S/c23-14-6-1-2-7-15-29-20-12-10-18(11-13-20)16-21(22(25)26)24-30(27,28)17-19-8-4-3-5-9-19/h3-5,8-13,21,24H,1-2,6-7,14-17,23H2,(H,25,26)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004062 ((S)-3-[4-(7-Amino-heptyloxy)-phenyl]-2-benzyloxyca...) Show SMILES NCCCCCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C24H32N2O5/c25-15-7-2-1-3-8-16-30-21-13-11-19(12-14-21)17-22(23(27)28)26-24(29)31-18-20-9-5-4-6-10-20/h4-6,9-14,22H,1-3,7-8,15-18,25H2,(H,26,29)(H,27,28)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004064 ((S)-3-[4-(6-Amino-hexyloxy)-phenyl]-2-hexanoylamin...) Show SMILES CCCCCC(=O)N[C@@H](Cc1ccc(OCCCCCCN)cc1)C(O)=O Show InChI InChI=1S/C21H34N2O4/c1-2-3-6-9-20(24)23-19(21(25)26)16-17-10-12-18(13-11-17)27-15-8-5-4-7-14-22/h10-13,19H,2-9,14-16,22H2,1H3,(H,23,24)(H,25,26)/t19-/m0/s1	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+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039585 ((S)-2-Benzyloxycarbonylamino-3-{4-[3-(4-methyl-pip...) Show SMILES CN1CCN(CCCOc2ccc(C[C@H](NC(=O)OCc3ccccc3)C(O)=O)cc2)CC1 Show InChI InChI=1S/C25H33N3O5/c1-27-13-15-28(16-14-27)12-5-17-32-22-10-8-20(9-11-22)18-23(24(29)30)26-25(31)33-19-21-6-3-2-4-7-21/h2-4,6-11,23H,5,12-19H2,1H3,(H,26,31)(H,29,30)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039579 ((S)-3-[4-(6-Amino-hexyloxy)-phenyl]-2-butyrylamino...) Show SMILES CCCC(=O)N[C@@H](Cc1ccc(OCCCCCCN)cc1)C(O)=O Show InChI InChI=1S/C19H30N2O4/c1-2-7-18(22)21-17(19(23)24)14-15-8-10-16(11-9-15)25-13-6-4-3-5-12-20/h8-11,17H,2-7,12-14,20H2,1H3,(H,21,22)(H,23,24)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039596 ((S)-2-Benzyloxycarbonylamino-3-[4-(3-piperidin-4-y...) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCC2CCNCC2)cc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C25H32N2O5/c28-24(29)23(27-25(30)32-18-21-5-2-1-3-6-21)17-20-8-10-22(11-9-20)31-16-4-7-19-12-14-26-15-13-19/h1-3,5-6,8-11,19,23,26H,4,7,12-18H2,(H,27,30)(H,28,29)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004067 ((S)-3-[4-(6-Amino-hexyloxy)-phenyl]-2-(3-phenyl-pr...) Show SMILES NCCCCCCOc1ccc(C[C@H](NC(=O)CCc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C24H32N2O4/c25-16-6-1-2-7-17-30-21-13-10-20(11-14-21)18-22(24(28)29)26-23(27)15-12-19-8-4-3-5-9-19/h3-5,8-11,13-14,22H,1-2,6-7,12,15-18,25H2,(H,26,27)(H,28,29)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039594 ((S)-3-[4-(6-Amino-hexyloxy)-phenyl]-2-benzoylamino...) Show SMILES NCCCCCCOc1ccc(C[C@H](NC(=O)c2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C22H28N2O4/c23-14-6-1-2-7-15-28-19-12-10-17(11-13-19)16-20(22(26)27)24-21(25)18-8-4-3-5-9-18/h3-5,8-13,20H,1-2,6-7,14-16,23H2,(H,24,25)(H,26,27)/t20-/m0/s1	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039600 ((S)-3-[4-(6-Amino-hexyloxy)-phenyl]-2-methanesulfo...) Show SMILES CS(=O)(=O)N[C@@H](Cc1ccc(OCCCCCCN)cc1)C(O)=O Show InChI InChI=1S/C16H26N2O5S/c1-24(21,22)18-15(16(19)20)12-13-6-8-14(9-7-13)23-11-5-3-2-4-10-17/h6-9,15,18H,2-5,10-12,17H2,1H3,(H,19,20)/t15-/m0/s1	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039599 ((S)-3-[4-(6-Amino-hexyloxy)-phenyl]-2-phenylacetyl...) Show SMILES NCCCCCCOc1ccc(C[C@H](NC(=O)Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C23H30N2O4/c24-14-6-1-2-7-15-29-20-12-10-19(11-13-20)16-21(23(27)28)25-22(26)17-18-8-4-3-5-9-18/h3-5,8-13,21H,1-2,6-7,14-17,24H2,(H,25,26)(H,27,28)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50039573 (2-[1-[1-amino-4-amino(imino)methylamino-(1S)-butyl...) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C23H32N8O7/c24-14(5-3-7-27-23(25)26)20(35)29-11-18(32)30-16(9-19(33)34)21(36)31-17(22(37)38)8-12-10-28-15-6-2-1-4-13(12)15/h1-2,4,6,10,14,16-17,28H,3,5,7-9,11,24H2,(H,29,35)(H,30,32)(H,31,36)(H,33,34)(H,37,38)(H4,25,26,27)/t14-,16-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human umbilical vein endothelial cell adhesion to vitronectin				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039574 ((S)-2-Acetylamino-3-[4-(6-amino-hexyloxy)-phenyl]-...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OCCCCCCN)cc1)C(O)=O Show InChI InChI=1S/C17H26N2O4/c1-13(20)19-16(17(21)22)12-14-6-8-15(9-7-14)23-11-5-3-2-4-10-18/h6-9,16H,2-5,10-12,18H2,1H3,(H,19,20)(H,21,22)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039587 ((S)-2-Benzyloxycarbonylamino-3-{4-[3-(3-dimethylam...) Show SMILES CN(C)CC(C)(C)CNCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C27H39N3O5/c1-27(2,20-30(3)4)19-28-15-8-16-34-23-13-11-21(12-14-23)17-24(25(31)32)29-26(33)35-18-22-9-6-5-7-10-22/h5-7,9-14,24,28H,8,15-20H2,1-4H3,(H,29,33)(H,31,32)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039582 ((S)-2-(Benzyloxycarbonyl-methyl-amino)-3-[4-(4-pip...) Show SMILES CN([C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H36N2O5/c1-29(27(32)34-20-23-8-3-2-4-9-23)25(26(30)31)19-22-10-12-24(13-11-22)33-18-6-5-7-21-14-16-28-17-15-21/h2-4,8-13,21,25,28H,5-7,14-20H2,1H3,(H,30,31)/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039598 ((S)-2-Benzyloxycarbonylamino-3-[4-(3-pyrrolidin-1-...) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCN2CCCC2)cc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C24H30N2O5/c27-23(28)22(25-24(29)31-18-20-7-2-1-3-8-20)17-19-9-11-21(12-10-19)30-16-6-15-26-13-4-5-14-26/h1-3,7-12,22H,4-6,13-18H2,(H,25,29)(H,27,28)/t22-/m0/s1	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039583 (3-[4-(4-Piperidin-4-yl-butoxy)-phenyl]-propionic a...) Show SMILES OC(=O)CCc1ccc(OCCCCC2CCNCC2)cc1 Show InChI InChI=1S/C18H27NO3/c20-18(21)9-6-16-4-7-17(8-5-16)22-14-2-1-3-15-10-12-19-13-11-15/h4-5,7-8,15,19H,1-3,6,9-14H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004070 ((S)-3-[4-(6-Amino-hexyloxy)-phenyl]-2-benzyloxycar...) Show SMILES NCCCCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C23H30N2O5/c24-14-6-1-2-7-15-29-20-12-10-18(11-13-20)16-21(22(26)27)25-23(28)30-17-19-8-4-3-5-9-19/h3-5,8-13,21H,1-2,6-7,14-17,24H2,(H,25,28)(H,26,27)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50039573 (2-[1-[1-amino-4-amino(imino)methylamino-(1S)-butyl...) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C23H32N8O7/c24-14(5-3-7-27-23(25)26)20(35)29-11-18(32)30-16(9-19(33)34)21(36)31-17(22(37)38)8-12-10-28-15-6-2-1-4-13(12)15/h1-2,4,6,10,14,16-17,28H,3,5,7-9,11,24H2,(H,29,35)(H,30,32)(H,31,36)(H,33,34)(H,37,38)(H4,25,26,27)/t14-,16-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human umbilical vein endothelial cell adhesion to fibronectin				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004059 ((S)-2-Benzyloxycarbonylamino-3-[4-(3-tert-butylami...) Show SMILES CC(C)(C)NCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C24H32N2O5/c1-24(2,3)25-14-7-15-30-20-12-10-18(11-13-20)16-21(22(27)28)26-23(29)31-17-19-8-5-4-6-9-19/h4-6,8-13,21,25H,7,14-17H2,1-3H3,(H,26,29)(H,27,28)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50039573 (2-[1-[1-amino-4-amino(imino)methylamino-(1S)-butyl...) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C23H32N8O7/c24-14(5-3-7-27-23(25)26)20(35)29-11-18(32)30-16(9-19(33)34)21(36)31-17(22(37)38)8-12-10-28-15-6-2-1-4-13(12)15/h1-2,4,6,10,14,16-17,28H,3,5,7-9,11,24H2,(H,29,35)(H,30,32)(H,31,36)(H,33,34)(H,37,38)(H4,25,26,27)/t14-,16-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human umbilical vein endothelial cell adhesion to fibrinogen				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004069 ((S)-2-Amino-3-[4-(6-amino-hexyloxy)-phenyl]-propio...) Show SMILES NCCCCCCOc1ccc(C[C@H](N)C(O)=O)cc1 Show InChI InChI=1S/C15H24N2O3/c16-9-3-1-2-4-10-20-13-7-5-12(6-8-13)11-14(17)15(18)19/h5-8,14H,1-4,9-11,16-17H2,(H,18,19)/t14-/m0/s1	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004072 ((S)-2-Benzyloxycarbonylamino-3-[4-(3-tert-butylami...) Show SMILES CC(C)(C)NCC(O)COc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C24H32N2O6/c1-24(2,3)25-14-19(27)16-31-20-11-9-17(10-12-20)13-21(22(28)29)26-23(30)32-15-18-7-5-4-6-8-18/h4-12,19,21,25,27H,13-16H2,1-3H3,(H,26,30)(H,28,29)/t19?,21-/m0/s1	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004063 ((S)-3-[4-(5-Amino-pentyloxy)-phenyl]-2-benzyloxyca...) Show SMILES NCCCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C22H28N2O5/c23-13-5-2-6-14-28-19-11-9-17(10-12-19)15-20(21(25)26)24-22(27)29-16-18-7-3-1-4-8-18/h1,3-4,7-12,20H,2,5-6,13-16,23H2,(H,24,27)(H,25,26)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004056 ((S)-3-[4-(8-Amino-octyloxy)-phenyl]-2-benzyloxycar...) Show SMILES NCCCCCCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C25H34N2O5/c26-16-8-3-1-2-4-9-17-31-22-14-12-20(13-15-22)18-23(24(28)29)27-25(30)32-19-21-10-6-5-7-11-21/h5-7,10-15,23H,1-4,8-9,16-19,26H2,(H,27,30)(H,28,29)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50004060 ((S)-2-Benzyloxycarbonylamino-3-[4-(4-piperidin-4-y...) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H34N2O5/c29-25(30)24(28-26(31)33-19-22-7-2-1-3-8-22)18-21-9-11-23(12-10-21)32-17-5-4-6-20-13-15-27-16-14-20/h1-3,7-12,20,24,27H,4-6,13-19H2,(H,28,31)(H,29,30)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human umbilical vein endothelial cell adhesion to vitronectin				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair

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