Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50092123'   

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))	BDBM50092123 (((S)-1-{2-[4-(N-Hydroxycarbamimidoyl)-benzoylamino...) Show SMILES CCOC(=O)COC1CCN(CC1)C(=O)[C@H](C)NC(=O)c1ccc(cc1)C(=N)NO Show InChI InChI=1S/C20H28N4O6/c1-3-29-17(25)12-30-16-8-10-24(11-9-16)20(27)13(2)22-19(26)15-6-4-14(5-7-15)18(21)23-28/h4-7,13,16,28H,3,8-12H2,1-2H3,(H2,21,23)(H,22,26)/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	1.14	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Tested for inhibition of the binding of fibrinogen to purified human GPIIb-IIIa in a 96-well format (ELISA assay)				J Med Chem 47: 2037-61 (2004) Article DOI: 10.1021/jm030354b BindingDB Entry DOI: 10.7270/Q2FQ9W1H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50092123 (((S)-1-{2-[4-(N-Hydroxycarbamimidoyl)-benzoylamino...) Show SMILES CCOC(=O)COC1CCN(CC1)C(=O)[C@H](C)NC(=O)c1ccc(cc1)C(=N)NO Show InChI InChI=1S/C20H28N4O6/c1-3-29-17(25)12-30-16-8-10-24(11-9-16)20(27)13(2)22-19(26)15-6-4-14(5-7-15)18(21)23-28/h4-7,13,16,28H,3,8-12H2,1-2H3,(H2,21,23)(H,22,26)/t13-/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	38	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc. Curated by ChEMBL					Assay Description inhibition of platelet aggregation in human platelet rich plasma				J Med Chem 43: 3453-73 (2000) BindingDB Entry DOI: 10.7270/Q2ZS2X79
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50092123 (((S)-1-{2-[4-(N-Hydroxycarbamimidoyl)-benzoylamino...) Show SMILES CCOC(=O)COC1CCN(CC1)C(=O)[C@H](C)NC(=O)c1ccc(cc1)C(=N)NO Show InChI InChI=1S/C20H28N4O6/c1-3-29-17(25)12-30-16-8-10-24(11-9-16)20(27)13(2)22-19(26)15-6-4-14(5-7-15)18(21)23-28/h4-7,13,16,28H,3,8-12H2,1-2H3,(H2,21,23)(H,22,26)/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	51	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of platelet aggregation induced by 20 microM adenosine 5-diphosphate (ADP) in citrated human platelet rich plasma (h-PRP)				J Med Chem 47: 2037-61 (2004) Article DOI: 10.1021/jm030354b BindingDB Entry DOI: 10.7270/Q2FQ9W1H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50092123 (((S)-1-{2-[4-(N-Hydroxycarbamimidoyl)-benzoylamino...) Show SMILES CCOC(=O)COC1CCN(CC1)C(=O)[C@H](C)NC(=O)c1ccc(cc1)C(=N)NO Show InChI InChI=1S/C20H28N4O6/c1-3-29-17(25)12-30-16-8-10-24(11-9-16)20(27)13(2)22-19(26)15-6-4-14(5-7-15)18(21)23-28/h4-7,13,16,28H,3,8-12H2,1-2H3,(H2,21,23)(H,22,26)/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	72	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human platelet (h-PRP) aggregation induced by 20 microM ADP with PPACK				J Med Chem 47: 2037-61 (2004) Article DOI: 10.1021/jm030354b BindingDB Entry DOI: 10.7270/Q2FQ9W1H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50092123 (((S)-1-{2-[4-(N-Hydroxycarbamimidoyl)-benzoylamino...) Show SMILES CCOC(=O)COC1CCN(CC1)C(=O)[C@H](C)NC(=O)c1ccc(cc1)C(=N)NO Show InChI InChI=1S/C20H28N4O6/c1-3-29-17(25)12-30-16-8-10-24(11-9-16)20(27)13(2)22-19(26)15-6-4-14(5-7-15)18(21)23-28/h4-7,13,16,28H,3,8-12H2,1-2H3,(H2,21,23)(H,22,26)/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	147	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of citrated human (h-PRP) platelet aggregation induced by 5 uM TRAP6				J Med Chem 47: 2037-61 (2004) Article DOI: 10.1021/jm030354b BindingDB Entry DOI: 10.7270/Q2FQ9W1H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50092123 (((S)-1-{2-[4-(N-Hydroxycarbamimidoyl)-benzoylamino...) Show SMILES CCOC(=O)COC1CCN(CC1)C(=O)[C@H](C)NC(=O)c1ccc(cc1)C(=N)NO Show InChI InChI=1S/C20H28N4O6/c1-3-29-17(25)12-30-16-8-10-24(11-9-16)20(27)13(2)22-19(26)15-6-4-14(5-7-15)18(21)23-28/h4-7,13,16,28H,3,8-12H2,1-2H3,(H2,21,23)(H,22,26)/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	182	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human platelet (h-PRP) aggregation induced by 5 microM TRAP6 with PPACK				J Med Chem 47: 2037-61 (2004) Article DOI: 10.1021/jm030354b BindingDB Entry DOI: 10.7270/Q2FQ9W1H
					More data for this Ligand-Target Pair