Compile Data Set for Download or QSAR

Found 16 hits of ec50 for UniProtKB: P05556   

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-4/beta-1 (Homo sapiens (Human))	BDBM50535742 (CHEMBL4592659) Show SMILES CN(C)c1ccc2n(C)c(=O)n(-c3ccc(C[C@H](NC(=O)c4c(Cl)cccc4Cl)C(O)=O)cc3)c(=O)c2c1 |r| Show InChI InChI=1S/C27H24Cl2N4O5/c1-31(2)17-11-12-22-18(14-17)25(35)33(27(38)32(22)3)16-9-7-15(8-10-16)13-21(26(36)37)30-24(34)23-19(28)5-4-6-20(23)29/h4-12,14,21H,13H2,1-3H3,(H,30,34)(H,36,37)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.40	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Antagonist activity at integrin alpha4beta1 expressed in human Jurkat cells assessed as reduction in cell adhesion to human VCAM-1 incubated for 40 t...				Bioorg Med Chem Lett 29: 2034-2041 (2019) Article DOI: 10.1016/j.bmcl.2019.06.042 BindingDB Entry DOI: 10.7270/Q2H70KB6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Agonist activity at alpha4beta1 integrin receptor in human Jurkat E6.1 cells assessed as increase in VCAM1-induced cell adhesion pre-incubated for 30...				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-4/beta-1 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Agonist activity at alpha4beta1 integrin receptor in human Jurkat E6.1 cells assessed as increase in VCAM1-induced cell adhesion pre-incubated for 30...				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-4/beta-1 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alpha4beta1 in human Jurkat E6.1 cells assessed as increase in cell adhesion to VCAM1 pre-incubated for 30 mins before VCAM1 and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	255	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Agonist activity at alpha4beta1 integrin receptor in human Jurkat E6.1 cells assessed as increase in VCAM1-induced cell adhesion pre-incubated for 30...				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-4/beta-1 (Homo sapiens (Human))	BDBM50505778 (CHEMBL4447762) Show SMILES Cc1ccccc1NC(=O)N1CCC1=O Show InChI InChI=1S/C11H12N2O2/c1-8-4-2-3-5-9(8)12-11(15)13-7-6-10(13)14/h2-5H,6-7H2,1H3,(H,12,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	976	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Agonist activity at alpha4beta1 integrin receptor in human Jurkat E6.1 cells assessed as increase in VCAM1-induced cell adhesion pre-incubated for 30...				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-4/beta-1 (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 Reactome pathway KEGG UniProtKB/SwissProt 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 alpha4beta1 in human Jurkat E6.1 cells assessed as increase in cell adhesion to VCAM1 pre-incubated for 30 mins before VCAM1 and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (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 Reactome pathway KEGG UniProtKB/SwissProt 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 alpha4beta1 in human Jurkat E6.1 cells assessed as increase in cell adhesion to VCAM1 pre-incubated for 30 mins before VCAM1 and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (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 Reactome pathway KEGG UniProtKB/SwissProt 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 alpha4beta1 in human Jurkat E6.1 cells assessed as increase in cell adhesion to VCAM1 pre-incubated for 30 mins before VCAM1 and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase 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 alpha4beta1 in human Jurkat E6.1 cells assessed as increase in cell adhesion to VCAM1 pre-incubated for 30 mins before VCAM1 and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50550227 (CHEMBL4755971) Show SMILES OC(=O)CC1CC(=O)N1C(=O)NCc1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 alpha4beta1 in human Jurkat E6.1 cells assessed as increase in cell adhesion to VCAM1 pre-incubated for 30 mins before VCAM1 and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50550228 (CHEMBL4743438) Show SMILES Cc1ccccc1NC(=O)N1[C@@H](CC1=O)C(=O)NCCC(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 alpha4beta1 in human Jurkat E6.1 cells assessed as increase in cell adhesion to VCAM1 pre-incubated for 30 mins before VCAM1 and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (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 Reactome pathway KEGG UniProtKB/SwissProt 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 alpha4beta1 in human Jurkat E6.1 cells assessed as increase in cell adhesion to VCAM1 pre-incubated for 30 mins before VCAM1 and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (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 Reactome pathway KEGG UniProtKB/SwissProt 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 alpha4beta1 in human Jurkat E6.1 cells assessed as increase in cell adhesion to VCAM1 pre-incubated for 30 mins before VCAM1 and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (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 Reactome pathway KEGG UniProtKB/SwissProt 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 alpha4beta1 in human Jurkat E6.1 cells assessed as increase in cell adhesion to VCAM1 pre-incubated for 30 mins before VCAM1 and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (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 Reactome pathway KEGG UniProtKB/SwissProt 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 CEMD9 cell adhesion via integrin alpha4-beta1 to VCAM1				Bioorg Med Chem Lett 14: 657-61 (2004) BindingDB Entry DOI: 10.7270/Q2RV0N4Q
					More data for this Ligand-Target Pair