Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50008491   

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))	BDBM50058855 ((S)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimi...) Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhbition of platelet aggregation in heparin treated human platelet rich plasma (PRP)				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073814 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES COP(=O)(NC(CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O)OC |c:13| Show InChI InChI=1S/C17H24N5O7P/c1-27-30(26,28-2)22-14(17(24)25)9-20-15(23)8-12-7-13(21-29-12)10-3-5-11(6-4-10)16(18)19/h3-6,12,14H,7-9H2,1-2H3,(H3,18,19)(H,20,23)(H,22,26)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhbition of platelet aggregation in heparin treated human platelet rich plasma (PRP)				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073819 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES CC(C)OP(=O)(NC(CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O)OC(C)C |c:15| Show InChI InChI=1S/C21H32N5O7P/c1-12(2)32-34(30,33-13(3)4)26-18(21(28)29)11-24-19(27)10-16-9-17(25-31-16)14-5-7-15(8-6-14)20(22)23/h5-8,12-13,16,18H,9-11H2,1-4H3,(H3,22,23)(H,24,27)(H,26,30)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of platelet aggregation in citrated human platelet rich plasma (PRP)				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen (Fg) interaction with GPIIb/IIIa in gel filtered platelets				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073820 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES CCCCOP(=O)(NC(CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O)OCCCC |c:16| Show InChI InChI=1S/C23H36N5O7P/c1-3-5-11-33-36(32,34-12-6-4-2)28-20(23(30)31)15-26-21(29)14-18-13-19(27-35-18)16-7-9-17(10-8-16)22(24)25/h7-10,18,20H,3-6,11-15H2,1-2H3,(H3,24,25)(H,26,29)(H,28,32)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Affinity for purified human platelet glycoprotein alpha IIb beta3 integrin receptor in ELISA				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073818 (2-(Bis-allyloxy-phosphorylamino)-3-{2-[3-(4-carbam...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCC(NP(=O)(OCC=C)OCC=C)C(O)=O)C1 |t:10| Show InChI InChI=1S/C21H28N5O7P/c1-3-9-31-34(30,32-10-4-2)26-18(21(28)29)13-24-19(27)12-16-11-17(25-33-16)14-5-7-15(8-6-14)20(22)23/h3-8,16,18H,1-2,9-13H2,(H3,22,23)(H,24,27)(H,26,30)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen (Fg) interaction with GPIIb/IIIa in gel filtered platelets				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073817 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES CCOP(=O)(NC(CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O)OCC |c:14| Show InChI InChI=1S/C19H28N5O7P/c1-3-29-32(28,30-4-2)24-16(19(26)27)11-22-17(25)10-14-9-15(23-31-14)12-5-7-13(8-6-12)18(20)21/h5-8,14,16H,3-4,9-11H2,1-2H3,(H3,20,21)(H,22,25)(H,24,28)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen (Fg) interaction with GPIIb/IIIa in gel filtered platelets				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073815 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCC(NP(O)(O)=O)C(O)=O)C1 |t:10| Show InChI InChI=1S/C15H20N5O7P/c16-14(17)9-3-1-8(2-4-9)11-5-10(27-19-11)6-13(21)18-7-12(15(22)23)20-28(24,25)26/h1-4,10,12H,5-7H2,(H3,16,17)(H,18,21)(H,22,23)(H3,20,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen (Fg) interaction with GPIIb/IIIa in gel filtered platelets				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058855 ((S)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimi...) Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Affinity for purified human platelet glycoprotein alpha IIb beta3 integrin receptor in ELISA				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073818 (2-(Bis-allyloxy-phosphorylamino)-3-{2-[3-(4-carbam...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCC(NP(=O)(OCC=C)OCC=C)C(O)=O)C1 |t:10| Show InChI InChI=1S/C21H28N5O7P/c1-3-9-31-34(30,32-10-4-2)26-18(21(28)29)13-24-19(27)12-16-11-17(25-33-16)14-5-7-15(8-6-14)20(22)23/h3-8,16,18H,1-2,9-13H2,(H3,22,23)(H,24,27)(H,26,30)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen (Fg) interaction with GPIIb/IIIa in gel filtered platelets				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058855 ((S)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimi...) Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen (Fg) interaction with GPIIb/IIIa in gel filtered platelets				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073814 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES COP(=O)(NC(CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O)OC |c:13| Show InChI InChI=1S/C17H24N5O7P/c1-27-30(26,28-2)22-14(17(24)25)9-20-15(23)8-12-7-13(21-29-12)10-3-5-11(6-4-10)16(18)19/h3-6,12,14H,7-9H2,1-2H3,(H3,18,19)(H,20,23)(H,22,26)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of platelet aggregation in citrated human platelet rich plasma (PRP)				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073820 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES CCCCOP(=O)(NC(CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O)OCCCC |c:16| Show InChI InChI=1S/C23H36N5O7P/c1-3-5-11-33-36(32,34-12-6-4-2)28-20(23(30)31)15-26-21(29)14-18-13-19(27-35-18)16-7-9-17(10-8-16)22(24)25/h7-10,18,20H,3-6,11-15H2,1-2H3,(H3,24,25)(H,26,29)(H,28,32)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Affinity for purified human platelet glycoprotein alpha IIb beta3 integrin receptor in ELISA				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058855 ((S)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimi...) Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhbition of platelet aggregation in heparin treated human platelet rich plasma (PRP)				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073819 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES CC(C)OP(=O)(NC(CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O)OC(C)C |c:15| Show InChI InChI=1S/C21H32N5O7P/c1-12(2)32-34(30,33-13(3)4)26-18(21(28)29)11-24-19(27)10-16-9-17(25-31-16)14-5-7-15(8-6-14)20(22)23/h5-8,12-13,16,18H,9-11H2,1-4H3,(H3,22,23)(H,24,27)(H,26,30)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen (Fg) interaction with GPIIb/IIIa in gel filtered platelets				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073817 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES CCOP(=O)(NC(CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O)OCC |c:14| Show InChI InChI=1S/C19H28N5O7P/c1-3-29-32(28,30-4-2)24-16(19(26)27)11-22-17(25)10-14-9-15(23-31-14)12-5-7-13(8-6-12)18(20)21/h5-8,14,16H,3-4,9-11H2,1-2H3,(H3,20,21)(H,22,25)(H,24,28)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Affinity for purified human platelet glycoprotein alpha IIb beta3 integrin receptor in ELISA				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073819 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES CC(C)OP(=O)(NC(CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O)OC(C)C |c:15| Show InChI InChI=1S/C21H32N5O7P/c1-12(2)32-34(30,33-13(3)4)26-18(21(28)29)11-24-19(27)10-16-9-17(25-31-16)14-5-7-15(8-6-14)20(22)23/h5-8,12-13,16,18H,9-11H2,1-4H3,(H3,22,23)(H,24,27)(H,26,30)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of platelet aggregation in citrated human platelet rich plasma (PRP)				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073814 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES COP(=O)(NC(CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O)OC |c:13| Show InChI InChI=1S/C17H24N5O7P/c1-27-30(26,28-2)22-14(17(24)25)9-20-15(23)8-12-7-13(21-29-12)10-3-5-11(6-4-10)16(18)19/h3-6,12,14H,7-9H2,1-2H3,(H3,18,19)(H,20,23)(H,22,26)(H,24,25)	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
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhbition of platelet aggregation in heparin treated human platelet rich plasma (PRP)				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073820 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES CCCCOP(=O)(NC(CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O)OCCCC |c:16| Show InChI InChI=1S/C23H36N5O7P/c1-3-5-11-33-36(32,34-12-6-4-2)28-20(23(30)31)15-26-21(29)14-18-13-19(27-35-18)16-7-9-17(10-8-16)22(24)25/h7-10,18,20H,3-6,11-15H2,1-2H3,(H3,24,25)(H,26,29)(H,28,32)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of platelet aggregation in citrated human platelet rich plasma (PRP)				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073817 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES CCOP(=O)(NC(CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O)OCC |c:14| Show InChI InChI=1S/C19H28N5O7P/c1-3-29-32(28,30-4-2)24-16(19(26)27)11-22-17(25)10-14-9-15(23-31-14)12-5-7-13(8-6-12)18(20)21/h5-8,14,16H,3-4,9-11H2,1-2H3,(H3,20,21)(H,22,25)(H,24,28)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Affinity for purified human platelet glycoprotein alpha IIb beta3 integrin receptor in ELISA				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073818 (2-(Bis-allyloxy-phosphorylamino)-3-{2-[3-(4-carbam...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCC(NP(=O)(OCC=C)OCC=C)C(O)=O)C1 |t:10| Show InChI InChI=1S/C21H28N5O7P/c1-3-9-31-34(30,32-10-4-2)26-18(21(28)29)13-24-19(27)12-16-11-17(25-33-16)14-5-7-15(8-6-14)20(22)23/h3-8,16,18H,1-2,9-13H2,(H3,22,23)(H,24,27)(H,26,30)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of platelet aggregation in citrated human platelet rich plasma (PRP)				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	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
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Affinity for purified human platelet glycoprotein alpha IIb beta3 integrin receptor in ELISA				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073814 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES COP(=O)(NC(CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O)OC |c:13| Show InChI InChI=1S/C17H24N5O7P/c1-27-30(26,28-2)22-14(17(24)25)9-20-15(23)8-12-7-13(21-29-12)10-3-5-11(6-4-10)16(18)19/h3-6,12,14H,7-9H2,1-2H3,(H3,18,19)(H,20,23)(H,22,26)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhbition of platelet aggregation in heparin treated human platelet rich plasma (PRP)				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073819 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES CC(C)OP(=O)(NC(CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O)OC(C)C |c:15| Show InChI InChI=1S/C21H32N5O7P/c1-12(2)32-34(30,33-13(3)4)26-18(21(28)29)11-24-19(27)10-16-9-17(25-31-16)14-5-7-15(8-6-14)20(22)23/h5-8,12-13,16,18H,9-11H2,1-4H3,(H3,22,23)(H,24,27)(H,26,30)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhbition of platelet aggregation in heparin treated human platelet rich plasma (PRP)				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073820 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES CCCCOP(=O)(NC(CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O)OCCCC |c:16| Show InChI InChI=1S/C23H36N5O7P/c1-3-5-11-33-36(32,34-12-6-4-2)28-20(23(30)31)15-26-21(29)14-18-13-19(27-35-18)16-7-9-17(10-8-16)22(24)25/h7-10,18,20H,3-6,11-15H2,1-2H3,(H3,24,25)(H,26,29)(H,28,32)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	221	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhbition of platelet aggregation in heparin treated human platelet rich plasma (PRP)				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073818 (2-(Bis-allyloxy-phosphorylamino)-3-{2-[3-(4-carbam...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCC(NP(=O)(OCC=C)OCC=C)C(O)=O)C1 |t:10| Show InChI InChI=1S/C21H28N5O7P/c1-3-9-31-34(30,32-10-4-2)26-18(21(28)29)13-24-19(27)12-16-11-17(25-33-16)14-5-7-15(8-6-14)20(22)23/h3-8,16,18H,1-2,9-13H2,(H3,22,23)(H,24,27)(H,26,30)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	224	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Affinity for purified human platelet glycoprotein alpha IIb beta3 integrin receptor in ELISA				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073815 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCC(NP(O)(O)=O)C(O)=O)C1 |t:10| Show InChI InChI=1S/C15H20N5O7P/c16-14(17)9-3-1-8(2-4-9)11-5-10(27-19-11)6-13(21)18-7-12(15(22)23)20-28(24,25)26/h1-4,10,12H,5-7H2,(H3,16,17)(H,18,21)(H,22,23)(H3,20,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	229	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of platelet aggregation in citrated human platelet rich plasma (PRP)				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	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
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of platelet aggregation in citrated human platelet rich plasma (PRP)				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073817 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES CCOP(=O)(NC(CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O)OCC |c:14| Show InChI InChI=1S/C19H28N5O7P/c1-3-29-32(28,30-4-2)24-16(19(26)27)11-22-17(25)10-14-9-15(23-31-14)12-5-7-13(8-6-12)18(20)21/h5-8,14,16H,3-4,9-11H2,1-2H3,(H3,20,21)(H,22,25)(H,24,28)(H,26,27)	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
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of platelet aggregation in citrated human platelet rich plasma (PRP)				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073815 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCC(NP(O)(O)=O)C(O)=O)C1 |t:10| Show InChI InChI=1S/C15H20N5O7P/c16-14(17)9-3-1-8(2-4-9)11-5-10(27-19-11)6-13(21)18-7-12(15(22)23)20-28(24,25)26/h1-4,10,12H,5-7H2,(H3,16,17)(H,18,21)(H,22,23)(H3,20,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of fibrinogen (Fg) interaction with GPIIb/IIIa in gel filtered platelets				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50073815 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCC(NP(O)(O)=O)C(O)=O)C1 |t:10| Show InChI InChI=1S/C15H20N5O7P/c16-14(17)9-3-1-8(2-4-9)11-5-10(27-19-11)6-13(21)18-7-12(15(22)23)20-28(24,25)26/h1-4,10,12H,5-7H2,(H3,16,17)(H,18,21)(H,22,23)(H3,20,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	376	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Affinity for purified human platelet glycoprotein alpha IIb beta3 integrin receptor in ELISA				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50055896 (3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhbition of platelet aggregation in heparin treated human platelet rich plasma (PRP)				Bioorg Med Chem Lett 9: 123-6 (1999) BindingDB Entry DOI: 10.7270/Q2P55MND
					More data for this Ligand-Target Pair