Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50035080   

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-V/beta-3 (Homo sapiens (Human))	BDBM50085011 (2-Benzyloxycarbonylamino-3-(2-{(S)-4-[3-(4,5-dihyd...) Show SMILES Oc1c(CCCNC2=NCCN2)[nH]c(=O)n1CC(=O)NCC(NC(=O)OCc1ccccc1)C([O-])=O |t:7| Show InChI InChI=1S/C22H29N7O7/c30-17(26-11-16(19(32)33)28-22(35)36-13-14-5-2-1-3-6-14)12-29-18(31)15(27-21(29)34)7-4-8-23-20-24-9-10-25-20/h1-3,5-6,16,31H,4,7-13H2,(H,26,30)(H,27,34)(H,28,35)(H,32,33)(H2,23,24,25)/p-1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of Kistrin binding to integrin alphaV-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50085018 (3-(2-{(S)-4-[3-(1H-Benzoimidazol-2-ylamino)-propyl...) Show SMILES Oc1c(CCCNc2nc3ccccc3[nH]2)[nH]c(=O)n1CC(=O)NCC(NC(=O)OCc1ccccc1)C([O-])=O Show InChI InChI=1S/C26H29N7O7/c34-21(28-13-20(23(36)37)32-26(39)40-15-16-7-2-1-3-8-16)14-33-22(35)19(31-25(33)38)11-6-12-27-24-29-17-9-4-5-10-18(17)30-24/h1-5,7-10,20,35H,6,11-15H2,(H,28,34)(H,31,38)(H,32,39)(H,36,37)(H2,27,29,30)/p-1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of Kistrin binding to integrin alphaV-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50085015 (2-Benzyloxycarbonylamino-3-{2-[(S)-4-(3-guanidino-...) Show SMILES NC(=N)NCCCc1[nH]c(=O)n(CC(=O)NCC(NC(=O)OCc2ccccc2)C([O-])=O)c1O Show InChI InChI=1S/C20H27N7O7/c21-18(22)23-8-4-7-13-16(29)27(19(32)25-13)10-15(28)24-9-14(17(30)31)26-20(33)34-11-12-5-2-1-3-6-12/h1-3,5-6,14,29H,4,7-11H2,(H,24,28)(H,25,32)(H,26,33)(H,30,31)(H4,21,22,23)/p-1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of Kistrin binding to integrin alphaV-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085019 (2-(3-Benzyl-ureido)-3-{2-[(S)-4-(3-guanidino-propy...) Show SMILES NC(=N)NCCCc1[nH]c(=O)n(CC(=O)NCC(NC(=O)NCc2ccccc2)C([O-])=O)c1O Show InChI InChI=1S/C20H28N8O6/c21-18(22)23-8-4-7-13-16(30)28(20(34)27-13)11-15(29)24-10-14(17(31)32)26-19(33)25-9-12-5-2-1-3-6-12/h1-3,5-6,14,30H,4,7-11H2,(H,24,29)(H,27,34)(H,31,32)(H4,21,22,23)(H2,25,26,33)/p-1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of Kistrin binding to integrin alphaV-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085010 (3-{2-[(S)-4-(3-Guanidino-propyl)-2,5-dioxo-imidazo...) Show SMILES NC(=N)NCCCc1[nH]c(=O)n(CC(=O)NCC(NC(=O)c2ccc3ccccc3c2)C([O-])=O)c1O Show InChI InChI=1S/C23H27N7O6/c24-22(25)26-9-3-6-16-20(33)30(23(36)29-16)12-18(31)27-11-17(21(34)35)28-19(32)15-8-7-13-4-1-2-5-14(13)10-15/h1-2,4-5,7-8,10,17,33H,3,6,9,11-12H2,(H,27,31)(H,28,32)(H,29,36)(H,34,35)(H4,24,25,26)/p-1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of Kistrin binding to integrin alphaV-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50085006 (2-Benzyloxycarbonylamino-3-{2-[(S)-4-(4-guanidino-...) Show SMILES NC(=N)NCCCCc1[nH]c(=O)n(CC(=O)NCC(NC(=O)OCc2ccccc2)C([O-])=O)c1O Show InChI InChI=1S/C21H29N7O7/c22-19(23)24-9-5-4-8-14-17(30)28(20(33)26-14)11-16(29)25-10-15(18(31)32)27-21(34)35-12-13-6-2-1-3-7-13/h1-3,6-7,15,30H,4-5,8-12H2,(H,25,29)(H,26,33)(H,27,34)(H,31,32)(H4,22,23,24)/p-1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of Kistrin binding to integrin alphaV-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50085010 (3-{2-[(S)-4-(3-Guanidino-propyl)-2,5-dioxo-imidazo...) Show SMILES NC(=N)NCCCc1[nH]c(=O)n(CC(=O)NCC(NC(=O)c2ccc3ccccc3c2)C([O-])=O)c1O Show InChI InChI=1S/C23H27N7O6/c24-22(25)26-9-3-6-16-20(33)30(23(36)29-16)12-18(31)27-11-17(21(34)35)28-19(32)15-8-7-13-4-1-2-5-14(13)10-15/h1-2,4-5,7-8,10,17,33H,3,6,9,11-12H2,(H,27,31)(H,28,32)(H,29,36)(H,34,35)(H4,24,25,26)/p-1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of Kistrin binding to integrin alphaV-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50085008 (3-{2-[(S)-4-(3-Guanidino-propyl)-2,5-dioxo-imidazo...) Show SMILES NC(=N)NCCCc1[nH]c(=O)n(CC(=O)NCC(NC(=O)CCc2ccccc2)C([O-])=O)c1O Show InChI InChI=1S/C21H29N7O6/c22-20(23)24-10-4-7-14-18(31)28(21(34)27-14)12-17(30)25-11-15(19(32)33)26-16(29)9-8-13-5-2-1-3-6-13/h1-3,5-6,15,31H,4,7-12H2,(H,25,30)(H,26,29)(H,27,34)(H,32,33)(H4,22,23,24)/p-1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of Kistrin binding to integrin alphaV-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085012 (2-(Butane-1-sulfonylamino)-3-{2-[(S)-4-(3-guanidin...) Show SMILES CCCCS(=O)(=O)NC(CNC(=O)Cn1c(O)c(CCCNC(N)=N)[nH]c1=O)C([O-])=O Show InChI InChI=1S/C16H29N7O7S/c1-2-3-7-31(29,30)22-11(14(26)27)8-20-12(24)9-23-13(25)10(21-16(23)28)5-4-6-19-15(17)18/h11,22,25H,2-9H2,1H3,(H,20,24)(H,21,28)(H,26,27)(H4,17,18,19)/p-1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of Kistrin binding to integrin alphaV-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085008 (3-{2-[(S)-4-(3-Guanidino-propyl)-2,5-dioxo-imidazo...) Show SMILES NC(=N)NCCCc1[nH]c(=O)n(CC(=O)NCC(NC(=O)CCc2ccccc2)C([O-])=O)c1O Show InChI InChI=1S/C21H29N7O6/c22-20(23)24-10-4-7-14-18(31)28(21(34)27-14)12-17(30)25-11-15(19(32)33)26-16(29)9-8-13-5-2-1-3-6-13/h1-3,5-6,15,31H,4,7-12H2,(H,25,30)(H,26,29)(H,27,34)(H,32,33)(H4,22,23,24)/p-1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to integrin alphaIIb-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50085019 (2-(3-Benzyl-ureido)-3-{2-[(S)-4-(3-guanidino-propy...) Show SMILES NC(=N)NCCCc1[nH]c(=O)n(CC(=O)NCC(NC(=O)NCc2ccccc2)C([O-])=O)c1O Show InChI InChI=1S/C20H28N8O6/c21-18(22)23-8-4-7-13-16(30)28(20(34)27-13)11-15(29)24-10-14(17(31)32)26-19(33)25-9-12-5-2-1-3-6-12/h1-3,5-6,14,30H,4,7-11H2,(H,24,29)(H,27,34)(H,31,32)(H4,21,22,23)(H2,25,26,33)/p-1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of Kistrin binding to integrin alphaV-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50085007 (2-Benzyloxycarbonylamino-3-(2-{(S)-4-[N'-(4,5-dihy...) Show SMILES Oc1c(CC(=O)NNC2=NCCN2)[nH]c(=O)n1CC(=O)NCC(NC(=O)OCc1ccccc1)C([O-])=O |t:8| Show InChI InChI=1S/C21H26N8O8/c30-15(27-28-19-22-6-7-23-19)8-13-17(32)29(20(35)25-13)10-16(31)24-9-14(18(33)34)26-21(36)37-11-12-4-2-1-3-5-12/h1-5,14,32H,6-11H2,(H,24,31)(H,25,35)(H,26,36)(H,27,30)(H,33,34)(H2,22,23,28)/p-1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of Kistrin binding to integrin alphaV-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50085012 (2-(Butane-1-sulfonylamino)-3-{2-[(S)-4-(3-guanidin...) Show SMILES CCCCS(=O)(=O)NC(CNC(=O)Cn1c(O)c(CCCNC(N)=N)[nH]c1=O)C([O-])=O Show InChI InChI=1S/C16H29N7O7S/c1-2-3-7-31(29,30)22-11(14(26)27)8-20-12(24)9-23-13(25)10(21-16(23)28)5-4-6-19-15(17)18/h11,22,25H,2-9H2,1H3,(H,20,24)(H,21,28)(H,26,27)(H4,17,18,19)/p-1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of Kistrin binding to integrin alphaV-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085006 (2-Benzyloxycarbonylamino-3-{2-[(S)-4-(4-guanidino-...) Show SMILES NC(=N)NCCCCc1[nH]c(=O)n(CC(=O)NCC(NC(=O)OCc2ccccc2)C([O-])=O)c1O Show InChI InChI=1S/C21H29N7O7/c22-19(23)24-9-5-4-8-14-17(30)28(20(33)26-14)11-16(29)25-10-15(18(31)32)27-21(34)35-12-13-6-2-1-3-7-13/h1-3,6-7,15,30H,4-5,8-12H2,(H,25,29)(H,26,33)(H,27,34)(H,31,32)(H4,22,23,24)/p-1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to integrin alphaIIb-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50085014 (2-Benzyloxycarbonylamino-3-(2-{(S)-2,5-dioxo-4-[3-...) Show SMILES Oc1c(CCCNc2ncccn2)[nH]c(=O)n1CC(=O)NCC(NC(=O)OCc1ccccc1)C([O-])=O Show InChI InChI=1S/C23H27N7O7/c31-18(27-12-17(20(33)34)29-23(36)37-14-15-6-2-1-3-7-15)13-30-19(32)16(28-22(30)35)8-4-9-24-21-25-10-5-11-26-21/h1-3,5-7,10-11,17,32H,4,8-9,12-14H2,(H,27,31)(H,28,35)(H,29,36)(H,33,34)(H,24,25,26)/p-1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of Kistrin binding to integrin alphaV-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085015 (2-Benzyloxycarbonylamino-3-{2-[(S)-4-(3-guanidino-...) Show SMILES NC(=N)NCCCc1[nH]c(=O)n(CC(=O)NCC(NC(=O)OCc2ccccc2)C([O-])=O)c1O Show InChI InChI=1S/C20H27N7O7/c21-18(22)23-8-4-7-13-16(29)27(19(32)25-13)10-15(28)24-9-14(17(30)31)26-20(33)34-11-12-5-2-1-3-6-12/h1-3,5-6,14,29H,4,7-11H2,(H,24,28)(H,25,32)(H,26,33)(H,30,31)(H4,21,22,23)/p-1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of Kistrin binding to integrin alphaV-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50085017 (2-(3-Benzyl-thioureido)-3-{2-[(S)-4-(3-guanidino-p...) Show SMILES NC(=N)NCCCc1[nH]c(=O)n(CC(=O)NCC(NC(=S)NCc2ccccc2)C([O-])=O)c1O Show InChI InChI=1S/C20H28N8O5S/c21-18(22)23-8-4-7-13-16(30)28(20(33)27-13)11-15(29)24-10-14(17(31)32)26-19(34)25-9-12-5-2-1-3-6-12/h1-3,5-6,14,30H,4,7-11H2,(H,24,29)(H,27,33)(H,31,32)(H4,21,22,23)(H2,25,26,34)/p-1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of Kistrin binding to integrin alphaV-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50085016 (2-Benzyloxycarbonylamino-3-{2-[(S)-4-(2-guanidino-...) Show SMILES NC(=N)NCCc1[nH]c(=O)n(CC(=O)NCC(NC(=O)OCc2ccccc2)C([O-])=O)c1O Show InChI InChI=1S/C19H25N7O7/c20-17(21)22-7-6-12-15(28)26(18(31)24-12)9-14(27)23-8-13(16(29)30)25-19(32)33-10-11-4-2-1-3-5-11/h1-5,13,28H,6-10H2,(H,23,27)(H,24,31)(H,25,32)(H,29,30)(H4,20,21,22)/p-1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	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
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of Kistrin binding to integrin alphaV-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085013 (3-[2-((S)-4-{[(1H-Benzoimidazol-2-ylmethyl)-carbam...) Show SMILES Oc1c(CC(=O)NCc2nc3ccccc3[nH]2)[nH]c(=O)n1CC(=O)NCC(NC(=O)OCc1ccccc1)C([O-])=O Show InChI InChI=1S/C26H27N7O8/c34-21(28-12-20-29-16-8-4-5-9-17(16)30-20)10-18-23(36)33(25(39)31-18)13-22(35)27-11-19(24(37)38)32-26(40)41-14-15-6-2-1-3-7-15/h1-9,19,36H,10-14H2,(H,27,35)(H,28,34)(H,29,30)(H,31,39)(H,32,40)(H,37,38)/p-1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	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
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to integrin alphaIIb-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085009 (2-Benzyloxycarbonylamino-3-[2-((S)-4-guanidinometh...) Show SMILES NC(N)=NCc1[nH]c(=O)n(CC(=O)NCC(NC(=O)OCc2ccccc2)C([O-])=O)c1O |(-.91,2.64,;-.91,1.1,;-2.24,.33,;.42,.33,;1.57,1.37,;3.03,.9,;3.51,-.57,;5.05,-.57,;5.95,-1.82,;5.53,.9,;7,1.37,;8.13,.34,;7.82,-1.17,;9.6,.81,;10.74,-.22,;12.21,.27,;13.36,-.77,;14.82,-.29,;15.15,1.23,;15.96,-1.31,;17.43,-.82,;18.58,-1.85,;18.25,-3.36,;19.4,-4.39,;20.87,-3.91,;21.18,-2.39,;20.03,-1.38,;12.53,1.77,;13.99,2.26,;11.37,2.8,;4.28,1.8,;4.27,3.34,)| Show InChI InChI=1S/C18H23N7O7/c19-16(20)22-6-11-14(27)25(17(30)23-11)8-13(26)21-7-12(15(28)29)24-18(31)32-9-10-4-2-1-3-5-10/h1-5,12,27H,6-9H2,(H,21,26)(H,23,30)(H,24,31)(H,28,29)(H4,19,20,22)/p-1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	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
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of Kistrin binding to integrin alphaV-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085016 (2-Benzyloxycarbonylamino-3-{2-[(S)-4-(2-guanidino-...) Show SMILES NC(=N)NCCc1[nH]c(=O)n(CC(=O)NCC(NC(=O)OCc2ccccc2)C([O-])=O)c1O Show InChI InChI=1S/C19H25N7O7/c20-17(21)22-7-6-12-15(28)26(18(31)24-12)9-14(27)23-8-13(16(29)30)25-19(32)33-10-11-4-2-1-3-5-11/h1-5,13,28H,6-10H2,(H,23,27)(H,24,31)(H,25,32)(H,29,30)(H4,20,21,22)/p-1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	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
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to integrin alphaIIb-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085014 (2-Benzyloxycarbonylamino-3-(2-{(S)-2,5-dioxo-4-[3-...) Show SMILES Oc1c(CCCNc2ncccn2)[nH]c(=O)n1CC(=O)NCC(NC(=O)OCc1ccccc1)C([O-])=O Show InChI InChI=1S/C23H27N7O7/c31-18(27-12-17(20(33)34)29-23(36)37-14-15-6-2-1-3-7-15)13-30-19(32)16(28-22(30)35)8-4-9-24-21-25-10-5-11-26-21/h1-3,5-7,10-11,17,32H,4,8-9,12-14H2,(H,27,31)(H,28,35)(H,29,36)(H,33,34)(H,24,25,26)/p-1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	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
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to integrin alphaIIb-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085017 (2-(3-Benzyl-thioureido)-3-{2-[(S)-4-(3-guanidino-p...) Show SMILES NC(=N)NCCCc1[nH]c(=O)n(CC(=O)NCC(NC(=S)NCc2ccccc2)C([O-])=O)c1O Show InChI InChI=1S/C20H28N8O5S/c21-18(22)23-8-4-7-13-16(30)28(20(33)27-13)11-15(29)24-10-14(17(31)32)26-19(34)25-9-12-5-2-1-3-6-12/h1-3,5-6,14,30H,4,7-11H2,(H,24,29)(H,27,33)(H,31,32)(H4,21,22,23)(H2,25,26,34)/p-1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	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
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of Kistrin binding to integrin alphaV-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085007 (2-Benzyloxycarbonylamino-3-(2-{(S)-4-[N'-(4,5-dihy...) Show SMILES Oc1c(CC(=O)NNC2=NCCN2)[nH]c(=O)n1CC(=O)NCC(NC(=O)OCc1ccccc1)C([O-])=O |t:8| Show InChI InChI=1S/C21H26N8O8/c30-15(27-28-19-22-6-7-23-19)8-13-17(32)29(20(35)25-13)10-16(31)24-9-14(18(33)34)26-21(36)37-11-12-4-2-1-3-5-12/h1-5,14,32H,6-11H2,(H,24,31)(H,25,35)(H,26,36)(H,27,30)(H,33,34)(H2,22,23,28)/p-1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to integrin alphaIIb-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085018 (3-(2-{(S)-4-[3-(1H-Benzoimidazol-2-ylamino)-propyl...) Show SMILES Oc1c(CCCNc2nc3ccccc3[nH]2)[nH]c(=O)n1CC(=O)NCC(NC(=O)OCc1ccccc1)C([O-])=O Show InChI InChI=1S/C26H29N7O7/c34-21(28-13-20(23(36)37)32-26(39)40-15-16-7-2-1-3-8-16)14-33-22(35)19(31-25(33)38)11-6-12-27-24-29-17-9-4-5-10-18(17)30-24/h1-5,7-10,20,35H,6,11-15H2,(H,28,34)(H,31,38)(H,32,39)(H,36,37)(H2,27,29,30)/p-1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	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
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of Kistrin binding to integrin alphaV-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50085011 (2-Benzyloxycarbonylamino-3-(2-{(S)-4-[3-(4,5-dihyd...) Show SMILES Oc1c(CCCNC2=NCCN2)[nH]c(=O)n1CC(=O)NCC(NC(=O)OCc1ccccc1)C([O-])=O |t:7| Show InChI InChI=1S/C22H29N7O7/c30-17(26-11-16(19(32)33)28-22(35)36-13-14-5-2-1-3-6-14)12-29-18(31)15(27-21(29)34)7-4-8-23-20-24-9-10-25-20/h1-3,5-6,16,31H,4,7-13H2,(H,26,30)(H,27,34)(H,28,35)(H,32,33)(H2,23,24,25)/p-1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	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
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to integrin alphaIIb-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50085013 (3-[2-((S)-4-{[(1H-Benzoimidazol-2-ylmethyl)-carbam...) Show SMILES Oc1c(CC(=O)NCc2nc3ccccc3[nH]2)[nH]c(=O)n1CC(=O)NCC(NC(=O)OCc1ccccc1)C([O-])=O Show InChI InChI=1S/C26H27N7O8/c34-21(28-12-20-29-16-8-4-5-9-17(16)30-20)10-18-23(36)33(25(39)31-18)13-22(35)27-11-19(24(37)38)32-26(40)41-14-15-6-2-1-3-7-15/h1-9,19,36H,10-14H2,(H,27,35)(H,28,34)(H,29,30)(H,31,39)(H,32,40)(H,37,38)/p-1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of Kistrin binding to integrin alphaV-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50085009 (2-Benzyloxycarbonylamino-3-[2-((S)-4-guanidinometh...) Show SMILES NC(N)=NCc1[nH]c(=O)n(CC(=O)NCC(NC(=O)OCc2ccccc2)C([O-])=O)c1O |(-.91,2.64,;-.91,1.1,;-2.24,.33,;.42,.33,;1.57,1.37,;3.03,.9,;3.51,-.57,;5.05,-.57,;5.95,-1.82,;5.53,.9,;7,1.37,;8.13,.34,;7.82,-1.17,;9.6,.81,;10.74,-.22,;12.21,.27,;13.36,-.77,;14.82,-.29,;15.15,1.23,;15.96,-1.31,;17.43,-.82,;18.58,-1.85,;18.25,-3.36,;19.4,-4.39,;20.87,-3.91,;21.18,-2.39,;20.03,-1.38,;12.53,1.77,;13.99,2.26,;11.37,2.8,;4.28,1.8,;4.27,3.34,)| Show InChI InChI=1S/C18H23N7O7/c19-16(20)22-6-11-14(27)25(17(30)23-11)8-13(26)21-7-12(15(28)29)24-18(31)32-9-10-4-2-1-3-5-10/h1-5,12,27H,6-9H2,(H,21,26)(H,23,30)(H,24,31)(H,28,29)(H4,19,20,22)/p-1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of Kistrin binding to integrin alphaV-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
					More data for this Ligand-Target Pair