Compile Data Set for Download or QSAR

Found 44 hits of ec50 for UniProtKB: P05106   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50332898 (2-(benzo[d]thiazol-2-yl)-5-((4-chlorophenylthio)me...) Show SMILES Clc1ccc(SCc2[nH]n(-c3nc4ccccc4s3)c(=O)c2C=NCc2ccco2)cc1 |w:22.24| Show InChI InChI=1S/C23H17ClN4O2S2/c24-15-7-9-17(10-8-15)31-14-20-18(13-25-12-16-4-3-11-30-16)22(29)28(27-20)23-26-19-5-1-2-6-21(19)32-23/h1-11,13,27H,12,14H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
University of New Mexico School of Medicine Curated by ChEMBL					Assay Description Inhibition of human alphaVbeta3 receptor expressed in african green monkey Vero E6 cells assessed as inhibition of SNV infection in cells by immunofl...				Bioorg Med Chem Lett 20: 7085-91 (2010) Article DOI: 10.1016/j.bmcl.2010.09.092 BindingDB Entry DOI: 10.7270/Q2Z60PB4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50332896 (CHEMBL1630982 | rac-N-(benzo[d][1,3]dioxol-5-ylmet...) Show SMILES O=C(NCc1ccc2OCOc2c1)C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12 Show InChI InChI=1S/C26H23N3O5S/c30-26(28-16-19-11-12-22-23(15-19)34-17-33-22)21(14-18-6-2-1-3-7-18)29-35(31,32)24-10-4-8-20-9-5-13-27-25(20)24/h1-13,15,21,29H,14,16-17H2,(H,28,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
University of New Mexico School of Medicine Curated by ChEMBL					Assay Description Inhibition of human alphaVbeta3 receptor expressed in african green monkey Vero E6 cells assessed as inhibition of SNV infection in cells by immunofl...				Bioorg Med Chem Lett 20: 7085-91 (2010) Article DOI: 10.1016/j.bmcl.2010.09.092 BindingDB Entry DOI: 10.7270/Q2Z60PB4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50332897 (CHEMBL1631618 | rac-2-(benzo[c][1,2,5]thiadiazole-...) Show SMILES O=C(NCc1cccs1)C(Cc1ccccc1)NS(=O)(=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C20H18N4O3S3/c25-20(21-13-15-7-4-10-28-15)19(11-14-5-2-1-3-6-14)24-30(26,27)16-8-9-17-18(12-16)23-29-22-17/h1-10,12,19,24H,11,13H2,(H,21,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a
University of New Mexico School of Medicine Curated by ChEMBL					Assay Description Inhibition of human alphaVbeta3 receptor expressed in african green monkey Vero E6 cells assessed as inhibition of SNV infection in cells by immunofl...				Bioorg Med Chem Lett 20: 7085-91 (2010) Article DOI: 10.1016/j.bmcl.2010.09.092 BindingDB Entry DOI: 10.7270/Q2Z60PB4
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50365354 (CHEMBL1956150) Show SMILES OP(=O)[C@H](CNC(=O)c1ccc(OCCC2CCNCC2)cc1)NS(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H30N3O6PS/c26-22(18-6-8-19(9-7-18)31-15-12-17-10-13-23-14-11-17)24-16-21(32(27)28)25-33(29,30)20-4-2-1-3-5-20/h1-9,17,21,23,25,32H,10-16H2,(H,24,26)(H,27,28)/t21-/m1/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	n/a	n/a	7.80	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of integrin alpha2bbeta3-mediated platelet aggregation in human TRAP-6-activated whole blood for 6 mins by impedence-based aggregometry				J Med Chem 55: 871-82 (2012) Article DOI: 10.1021/jm2013826 BindingDB Entry DOI: 10.7270/Q2MC90H4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50021394 (CHEMBL3289605) Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2C(CC(=O)NCC(O)=O)CC2=O)cc1 Show InChI InChI=1S/C15H18N4O5.C2HF3O2/c16-7-9-1-3-10(4-2-9)18-15(24)19-11(6-13(19)21)5-12(20)17-8-14(22)23;3-2(4,5)1(6)7/h1-4,11H,5-8,16H2,(H,17,20)(H,18,24)(H,22,23);(H,6,7)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alphaVbeta3 in human SK-MEL-24 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibron...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50021394 (CHEMBL3289605) Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2C(CC(=O)NCC(O)=O)CC2=O)cc1 Show InChI InChI=1S/C15H18N4O5.C2HF3O2/c16-7-9-1-3-10(4-2-9)18-15(24)19-11(6-13(19)21)5-12(20)17-8-14(22)23;3-2(4,5)1(6)7/h1-4,11H,5-8,16H2,(H,17,20)(H,18,24)(H,22,23);(H,6,7)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Agonist activity at alphavbeta3 integrin in human SK-MEL-24 cells assessed as increase of fibronectin-mediated cell adhesion after 30 mins by fluores...				Eur J Med Chem 83: 284-93 (2014) Article DOI: 10.1016/j.ejmech.2014.06.041 BindingDB Entry DOI: 10.7270/Q2S75HWX
					More data for this Ligand-Target Pair
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 Article PubMed	n/a	n/a	n/a	n/a	13.6	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of integrin alpha2bbeta3-mediated platelet aggregation in human TRAP-6-activated whole blood for 6 mins by impedence-based aggregometry				J Med Chem 55: 871-82 (2012) Article DOI: 10.1021/jm2013826 BindingDB Entry DOI: 10.7270/Q2MC90H4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50505774 (CHEMBL4469125) Show SMILES Cc1ccccc1NC(=O)NCCC(O)=O Show InChI InChI=1S/C11H14N2O3/c1-8-4-2-3-5-9(8)13-11(16)12-7-6-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)(H2,12,13,16)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Agonist activity at alphaVbeta3 integrin receptor in human SK-MEL-24 cells assessed as increase in fibronectin-induced cell adhesion pre-incubated fo...				J Med Chem 62: 10156-10166 (2019) Article DOI: 10.1021/acs.jmedchem.9b01000 BindingDB Entry DOI: 10.7270/Q2FB567M
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50365350 (CHEMBL1956154) Show SMILES COP(O)(=O)[C@H](CNC(=O)c1ccc(OCCC2CCNCC2)cc1)NS(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C23H32N3O7PS/c1-32-34(28,29)22(26-35(30,31)21-5-3-2-4-6-21)17-25-23(27)19-7-9-20(10-8-19)33-16-13-18-11-14-24-15-12-18/h2-10,18,22,24,26H,11-17H2,1H3,(H,25,27)(H,28,29)/t22-/m1/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	n/a	n/a	40.8	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of integrin alpha2bbeta3-mediated platelet aggregation in human TRAP-6-activated whole blood for 6 mins by impedence-based aggregometry				J Med Chem 55: 871-82 (2012) Article DOI: 10.1021/jm2013826 BindingDB Entry DOI: 10.7270/Q2MC90H4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50021393 (CHEMBL3289604) Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2C(CC(O)=O)CC2=O)cc1 Show InChI InChI=1S/C13H15N3O4.C2HF3O2/c14-7-8-1-3-9(4-2-8)15-13(20)16-10(5-11(16)17)6-12(18)19;3-2(4,5)1(6)7/h1-4,10H,5-7,14H2,(H,15,20)(H,18,19);(H,6,7)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alphaVbeta3 in human SK-MEL-24 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibron...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50021393 (CHEMBL3289604) Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2C(CC(O)=O)CC2=O)cc1 Show InChI InChI=1S/C13H15N3O4.C2HF3O2/c14-7-8-1-3-9(4-2-8)15-13(20)16-10(5-11(16)17)6-12(18)19;3-2(4,5)1(6)7/h1-4,10H,5-7,14H2,(H,15,20)(H,18,19);(H,6,7)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Agonist activity at alphavbeta3 integrin in human SK-MEL-24 cells assessed as increase of fibronectin-mediated cell adhesion after 30 mins by fluores...				Eur J Med Chem 83: 284-93 (2014) Article DOI: 10.1016/j.ejmech.2014.06.041 BindingDB Entry DOI: 10.7270/Q2S75HWX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50505770 (CHEMBL4446073) Show SMILES OC(=O)\C=C1\CC(=O)N1 Show InChI InChI=1S/C5H5NO3/c7-4-1-3(6-4)2-5(8)9/h2H,1H2,(H,6,7)(H,8,9)/b3-2-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	76	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Agonist activity at alphaVbeta3 integrin receptor in human SK-MEL-24 cells assessed as increase in fibronectin-induced cell adhesion pre-incubated fo...				J Med Chem 62: 10156-10166 (2019) Article DOI: 10.1021/acs.jmedchem.9b01000 BindingDB Entry DOI: 10.7270/Q2FB567M
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50505776 (CHEMBL4454796) Show SMILES Cc1ccccc1NC(=O)NCC(O)=O Show InChI InChI=1S/C10H12N2O3/c1-7-4-2-3-5-8(7)12-10(15)11-6-9(13)14/h2-5H,6H2,1H3,(H,13,14)(H2,11,12,15)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	85	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Agonist activity at alphaVbeta3 integrin receptor in human SK-MEL-24 cells assessed as increase in fibronectin-induced cell adhesion pre-incubated fo...				J Med Chem 62: 10156-10166 (2019) Article DOI: 10.1021/acs.jmedchem.9b01000 BindingDB Entry DOI: 10.7270/Q2FB567M
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50505770 (CHEMBL4446073) Show SMILES OC(=O)\C=C1\CC(=O)N1 Show InChI InChI=1S/C5H5NO3/c7-4-1-3(6-4)2-5(8)9/h2H,1H2,(H,6,7)(H,8,9)/b3-2-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	154	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Agonist activity at alphaVbeta3 integrin receptor in human Saos-2 cells assessed as increase in fibronectin-induced cell adhesion pre-incubated for 3...				J Med Chem 62: 10156-10166 (2019) Article DOI: 10.1021/acs.jmedchem.9b01000 BindingDB Entry DOI: 10.7270/Q2FB567M
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50550225 (CHEMBL4764510) Show SMILES Cc1ccccc1NC(=O)N1C(CC(=O)NCCC(O)=O)CC1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	187	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alphaVbeta3 in human SK-MEL-24 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibron...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50365352 (CHEMBL1956152) Show SMILES OP(O)(=O)[C@H](CNC(=O)c1ccc(OCCC2CCNCC2)cc1)NS(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H30N3O7PS/c26-22(18-6-8-19(9-7-18)32-15-12-17-10-13-23-14-11-17)24-16-21(33(27,28)29)25-34(30,31)20-4-2-1-3-5-20/h1-9,17,21,23,25H,10-16H2,(H,24,26)(H2,27,28,29)/t21-/m1/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	n/a	n/a	276	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of integrin alpha2bbeta3-mediated platelet aggregation in human TRAP-6-activated whole blood for 6 mins by impedence-based aggregometry				J Med Chem 55: 871-82 (2012) Article DOI: 10.1021/jm2013826 BindingDB Entry DOI: 10.7270/Q2MC90H4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50505776 (CHEMBL4454796) Show SMILES Cc1ccccc1NC(=O)NCC(O)=O Show InChI InChI=1S/C10H12N2O3/c1-7-4-2-3-5-8(7)12-10(15)11-6-9(13)14/h2-5H,6H2,1H3,(H,13,14)(H2,11,12,15)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	299	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Agonist activity at alphaVbeta3 integrin receptor in human Saos-2 cells assessed as increase in fibronectin-induced cell adhesion pre-incubated for 3...				J Med Chem 62: 10156-10166 (2019) Article DOI: 10.1021/acs.jmedchem.9b01000 BindingDB Entry DOI: 10.7270/Q2FB567M
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50505779 (CHEMBL4461771) Show SMILES OC(=O)CC1CC(=O)N1 Show InChI InChI=1S/C5H7NO3/c7-4-1-3(6-4)2-5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	311	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alpha2bbeta3 in human HEL cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50505774 (CHEMBL4469125) Show SMILES Cc1ccccc1NC(=O)NCCC(O)=O Show InChI InChI=1S/C11H14N2O3/c1-8-4-2-3-5-9(8)13-11(16)12-7-6-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)(H2,12,13,16)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	984	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Agonist activity at alphaVbeta3 integrin receptor in human Saos-2 cells assessed as increase in fibronectin-induced cell adhesion pre-incubated for 3...				J Med Chem 62: 10156-10166 (2019) Article DOI: 10.1021/acs.jmedchem.9b01000 BindingDB Entry DOI: 10.7270/Q2FB567M
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50550224 (CHEMBL4797755) Show SMILES OC(=O)C(F)(F)F.NCc1ccc(NC(=O)N2C(CC(=O)NCCC(O)=O)CC2=O)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alpha2bbeta3 in human HEL cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50505775 (CHEMBL4442651) Show SMILES Cc1ccccc1NC(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C13H16N2O3/c1-9-5-2-3-6-10(9)14-13(18)15-8-4-7-11(15)12(16)17/h2-3,5-6,11H,4,7-8H2,1H3,(H,14,18)(H,16,17)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.88E+3	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Agonist activity at alphaVbeta3 integrin receptor in human SK-MEL-24 cells assessed as increase in fibronectin-induced cell adhesion pre-incubated fo...				J Med Chem 62: 10156-10166 (2019) Article DOI: 10.1021/acs.jmedchem.9b01000 BindingDB Entry DOI: 10.7270/Q2FB567M
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50550226 (CHEMBL4782288) Show SMILES OC(=O)C(F)(F)F.Nc1ccc(CNC(=O)N2C(CC(=O)NCCC(O)=O)CC2=O)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alpha2bbeta3 in human HEL cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50550223 (CHEMBL4794300) Show SMILES OC(=O)C(F)(F)F.Nc1ccc(CNC(=O)N2C(CC(O)=O)CC2=O)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alpha2bbeta3 in human HEL cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50550222 (CHEMBL4777693) Show SMILES OC(=O)C(F)(F)F.Nc1ccc(CNC(=O)N2[C@@H](CC2=O)C(O)=O)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alpha2bbeta3 in human HEL cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50021395 (CHEMBL3289606) Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2[C@@H](CC2=O)C(O)=O)cc1 |r| Show InChI InChI=1S/C12H13N3O4.C2HF3O2/c13-6-7-1-3-8(4-2-7)14-12(19)15-9(11(17)18)5-10(15)16;3-2(4,5)1(6)7/h1-4,9H,5-6,13H2,(H,14,19)(H,17,18);(H,6,7)/t9-;/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	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alpha2bbeta3 in human HEL cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50021394 (CHEMBL3289605) Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2C(CC(=O)NCC(O)=O)CC2=O)cc1 Show InChI InChI=1S/C15H18N4O5.C2HF3O2/c16-7-9-1-3-10(4-2-9)18-15(24)19-11(6-13(19)21)5-12(20)17-8-14(22)23;3-2(4,5)1(6)7/h1-4,11H,5-8,16H2,(H,17,20)(H,18,24)(H,22,23);(H,6,7)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alpha2bbeta3 in human HEL cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50021393 (CHEMBL3289604) Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2C(CC(O)=O)CC2=O)cc1 Show InChI InChI=1S/C13H15N3O4.C2HF3O2/c14-7-8-1-3-9(4-2-8)15-13(20)16-10(5-11(16)17)6-12(18)19;3-2(4,5)1(6)7/h1-4,10H,5-7,14H2,(H,15,20)(H,18,19);(H,6,7)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alpha2bbeta3 in human HEL cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50505782 (CHEMBL4586928) Show SMILES Cc1ccccc1NC(=O)N1C(CC(=O)NCC(O)=O)CC1=O Show InChI InChI=1S/C15H17N3O5/c1-9-4-2-3-5-11(9)17-15(23)18-10(7-13(18)20)6-12(19)16-8-14(21)22/h2-5,10H,6-8H2,1H3,(H,16,19)(H,17,23)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alphaVbeta3 in human SK-MEL-24 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibron...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50505772 (CHEMBL4589062) Show SMILES Cc1ccccc1NC(=O)N1C(CC(O)=O)CC1=O Show InChI InChI=1S/C13H14N2O4/c1-8-4-2-3-5-10(8)14-13(19)15-9(6-11(15)16)7-12(17)18/h2-5,9H,6-7H2,1H3,(H,14,19)(H,17,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alphaVbeta3 in human SK-MEL-24 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibron...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50550227 (CHEMBL4755971) Show SMILES OC(=O)CC1CC(=O)N1C(=O)NCc1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alphaVbeta3 in human SK-MEL-24 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibron...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50550224 (CHEMBL4797755) Show SMILES OC(=O)C(F)(F)F.NCc1ccc(NC(=O)N2C(CC(=O)NCCC(O)=O)CC2=O)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alphaVbeta3 in human SK-MEL-24 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibron...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50550226 (CHEMBL4782288) Show SMILES OC(=O)C(F)(F)F.Nc1ccc(CNC(=O)N2C(CC(=O)NCCC(O)=O)CC2=O)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alphaVbeta3 in human SK-MEL-24 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibron...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50222360 (Ac-Asp-Arg-Leu-Asp-Ser-OH | CHEMBL238484) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O Show InChI InChI=1S/C25H42N8O12/c1-11(2)7-14(21(41)32-16(9-19(38)39)23(43)33-17(10-34)24(44)45)31-20(40)13(5-4-6-28-25(26)27)30-22(42)15(8-18(36)37)29-12(3)35/h11,13-17,34H,4-10H2,1-3H3,(H,29,35)(H,30,42)(H,31,40)(H,32,41)(H,33,43)(H,36,37)(H,38,39)(H,44,45)(H4,26,27,28)/t13-,14-,15-,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	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alpha2bbeta3 in human HEL cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50021395 (CHEMBL3289606) Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2[C@@H](CC2=O)C(O)=O)cc1 |r| Show InChI InChI=1S/C12H13N3O4.C2HF3O2/c13-6-7-1-3-8(4-2-7)14-12(19)15-9(11(17)18)5-10(15)16;3-2(4,5)1(6)7/h1-4,9H,5-6,13H2,(H,14,19)(H,17,18);(H,6,7)/t9-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alphaVbeta3 in human SK-MEL-24 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibron...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50550222 (CHEMBL4777693) Show SMILES OC(=O)C(F)(F)F.Nc1ccc(CNC(=O)N2[C@@H](CC2=O)C(O)=O)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alphaVbeta3 in human SK-MEL-24 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibron...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50439683 (CHEMBL2418221) Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r| Show InChI InChI=1S/C23H39N9O10/c1-11(33)18(21(40)32-7-3-5-14(32)22(41)42)31-20(39)13(8-17(36)37)30-16(35)10-28-19(38)12(29-15(34)9-24)4-2-6-27-23(25)26/h11-14,18,33H,2-10,24H2,1H3,(H,28,38)(H,29,34)(H,30,35)(H,31,39)(H,36,37)(H,41,42)(H4,25,26,27)/t11-,12+,13+,14+,18+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alpha2bbeta3 in human HEL cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50550227 (CHEMBL4755971) Show SMILES OC(=O)CC1CC(=O)N1C(=O)NCc1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alpha2bbeta3 in human HEL cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50505781 (CHEMBL4461668) Show SMILES Cc1ccccc1NC(=O)N1[C@@H](CC1=O)C(O)=O |r| Show InChI InChI=1S/C12H12N2O4/c1-7-4-2-3-5-8(7)13-12(18)14-9(11(16)17)6-10(14)15/h2-5,9H,6H2,1H3,(H,13,18)(H,16,17)/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alpha2bbeta3 in human HEL cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50550228 (CHEMBL4743438) Show SMILES Cc1ccccc1NC(=O)N1[C@@H](CC1=O)C(=O)NCCC(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alpha2bbeta3 in human HEL cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50505772 (CHEMBL4589062) Show SMILES Cc1ccccc1NC(=O)N1C(CC(O)=O)CC1=O Show InChI InChI=1S/C13H14N2O4/c1-8-4-2-3-5-10(8)14-13(19)15-9(6-11(15)16)7-12(17)18/h2-5,9H,6-7H2,1H3,(H,14,19)(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alpha2bbeta3 in human HEL cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50505782 (CHEMBL4586928) Show SMILES Cc1ccccc1NC(=O)N1C(CC(=O)NCC(O)=O)CC1=O Show InChI InChI=1S/C15H17N3O5/c1-9-4-2-3-5-11(9)17-15(23)18-10(7-13(18)20)6-12(19)16-8-14(21)22/h2-5,10H,6-8H2,1H3,(H,16,19)(H,17,23)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alpha2bbeta3 in human HEL cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50550225 (CHEMBL4764510) Show SMILES Cc1ccccc1NC(=O)N1C(CC(=O)NCCC(O)=O)CC1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alpha2bbeta3 in human HEL cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50021395 (CHEMBL3289606) Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2[C@@H](CC2=O)C(O)=O)cc1 |r| Show InChI InChI=1S/C12H13N3O4.C2HF3O2/c13-6-7-1-3-8(4-2-7)14-12(19)15-9(11(17)18)5-10(15)16;3-2(4,5)1(6)7/h1-4,9H,5-6,13H2,(H,14,19)(H,17,18);(H,6,7)/t9-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Agonist activity at alphavbeta3 integrin in human SK-MEL-24 cells assessed as increase of fibronectin-mediated cell adhesion after 30 mins by fluores...				Eur J Med Chem 83: 284-93 (2014) Article DOI: 10.1016/j.ejmech.2014.06.041 BindingDB Entry DOI: 10.7270/Q2S75HWX
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50139204 (3-[4-(3-Guanidino-benzoylamino)-phenylsulfanyl]-3-...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(-[#16]-[#6](-[#6]-[#6](-[#8])=O)-c2cccnc2)cc1 Show InChI InChI=1S/C22H21N5O3S/c23-22(24)27-17-5-1-3-14(11-17)21(30)26-16-6-8-18(9-7-16)31-19(12-20(28)29)15-4-2-10-25-13-15/h1-11,13,19H,12H2,(H,26,30)(H,28,29)(H4,23,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Nerviano Curated by ChEMBL					Assay Description Cell adhesion via integrin alphaIIb-beta3 expressed in CHO cells to fibrinogen				Bioorg Med Chem Lett 14: 657-61 (2004) BindingDB Entry DOI: 10.7270/Q2RV0N4Q
					More data for this Ligand-Target Pair