Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-1' and Ligand = 'BDBM50505772'   

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-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	9.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of fibronectin binding to alpha4bbeta1 isolated from human Jurkat E6.1 cells incubated for 1 hr by scintillation-proximity assay based com...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154MPK
					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