Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50003326'   

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))	BDBM50003326 (3-[2-(2-Acetylamino-5-guanidino-pentanoylamino)-ac...) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O Show InChI InChI=1S/C17H30N8O8/c1-8(27)23-9(3-2-4-21-17(19)20)15(32)22-6-12(28)24-10(5-13(29)30)16(33)25-11(7-26)14(18)31/h9-11,26H,2-7H2,1H3,(H2,18,31)(H,22,32)(H,23,27)(H,24,28)(H,25,33)(H,29,30)(H4,19,20,21)/t9-,10-,11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Research and Development Curated by ChEMBL					Assay Description Inhibition of 125[I] Fibrinogen binding to isolated purified human fibrinogen receptor				J Med Chem 34: 3114-25 (1991) BindingDB Entry DOI: 10.7270/Q2445KF0
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50003326 (3-[2-(2-Acetylamino-5-guanidino-pentanoylamino)-ac...) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O Show InChI InChI=1S/C17H30N8O8/c1-8(27)23-9(3-2-4-21-17(19)20)15(32)22-6-12(28)24-10(5-13(29)30)16(33)25-11(7-26)14(18)31/h9-11,26H,2-7H2,1H3,(H2,18,31)(H,22,32)(H,23,27)(H,24,28)(H,25,33)(H,29,30)(H4,19,20,21)/t9-,10-,11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of ADP-induced platelet aggregation in canine platelet-rich plasma				J Med Chem 35: 3970-2 (1992) BindingDB Entry DOI: 10.7270/Q2V9871V
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50003326 (3-[2-(2-Acetylamino-5-guanidino-pentanoylamino)-ac...) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O Show InChI InChI=1S/C17H30N8O8/c1-8(27)23-9(3-2-4-21-17(19)20)15(32)22-6-12(28)24-10(5-13(29)30)16(33)25-11(7-26)14(18)31/h9-11,26H,2-7H2,1H3,(H2,18,31)(H,22,32)(H,23,27)(H,24,28)(H,25,33)(H,29,30)(H4,19,20,21)/t9-,10-,11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Research and Development Curated by ChEMBL					Assay Description Inhibition of canine platelet-rich plasma agregation induced by ADP				J Med Chem 34: 3114-25 (1991) BindingDB Entry DOI: 10.7270/Q2445KF0
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50003326 (3-[2-(2-Acetylamino-5-guanidino-pentanoylamino)-ac...) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O Show InChI InChI=1S/C17H30N8O8/c1-8(27)23-9(3-2-4-21-17(19)20)15(32)22-6-12(28)24-10(5-13(29)30)16(33)25-11(7-26)14(18)31/h9-11,26H,2-7H2,1H3,(H2,18,31)(H,22,32)(H,23,27)(H,24,28)(H,25,33)(H,29,30)(H4,19,20,21)/t9-,10-,11-/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	6.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Research and Development Curated by ChEMBL					Assay Description Inhibition of canine platelet-rich plasma agregation induced by ADP				J Med Chem 34: 3114-25 (1991) BindingDB Entry DOI: 10.7270/Q2445KF0
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50003326 (3-[2-(2-Acetylamino-5-guanidino-pentanoylamino)-ac...) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O Show InChI InChI=1S/C17H30N8O8/c1-8(27)23-9(3-2-4-21-17(19)20)15(32)22-6-12(28)24-10(5-13(29)30)16(33)25-11(7-26)14(18)31/h9-11,26H,2-7H2,1H3,(H2,18,31)(H,22,32)(H,23,27)(H,24,28)(H,25,33)(H,29,30)(H4,19,20,21)/t9-,10-,11-/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	9.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of ADP-induced platelet aggregation in canine platelet-rich plasma				J Med Chem 35: 3970-2 (1992) BindingDB Entry DOI: 10.7270/Q2V9871V
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50003326 (3-[2-(2-Acetylamino-5-guanidino-pentanoylamino)-ac...) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O Show InChI InChI=1S/C17H30N8O8/c1-8(27)23-9(3-2-4-21-17(19)20)15(32)22-6-12(28)24-10(5-13(29)30)16(33)25-11(7-26)14(18)31/h9-11,26H,2-7H2,1H3,(H2,18,31)(H,22,32)(H,23,27)(H,24,28)(H,25,33)(H,29,30)(H4,19,20,21)/t9-,10-,11-/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	9.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Research and Development Curated by ChEMBL					Assay Description Inhibition of canine platelet-rich plasma agregation induced by ADP				J Med Chem 34: 3114-25 (1991) BindingDB Entry DOI: 10.7270/Q2445KF0
					More data for this Ligand-Target Pair