Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-1' and Ligand = 'BDBM50113569'   

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))	BDBM50113569 ((R)-2-[(S)-1-Carboxy-2-(2'-methoxy-biphenyl-4-yl)-...) Show SMILES CCOC(=O)[C@@]1(CCCO1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1OC)C(O)=O Show InChI InChI=1S/C24H27NO7/c1-3-31-23(29)24(13-6-14-32-24)22(28)25-19(21(26)27)15-16-9-11-17(12-10-16)18-7-4-5-8-20(18)30-2/h4-5,7-12,19H,3,6,13-15H2,1-2H3,(H,25,28)(H,26,27)/t19-,24+/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	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alpha4-beta1 (very late) antigen binding with VCAM-1 immunoglobulin				Bioorg Med Chem Lett 12: 1501-5 (2002) BindingDB Entry DOI: 10.7270/Q2T152X7
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50113569 ((R)-2-[(S)-1-Carboxy-2-(2'-methoxy-biphenyl-4-yl)-...) Show SMILES CCOC(=O)[C@@]1(CCCO1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1OC)C(O)=O Show InChI InChI=1S/C24H27NO7/c1-3-31-23(29)24(13-6-14-32-24)22(28)25-19(21(26)27)15-16-9-11-17(12-10-16)18-7-4-5-8-20(18)30-2/h4-5,7-12,19H,3,6,13-15H2,1-2H3,(H,25,28)(H,26,27)/t19-,24+/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	19	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alpha4-beta1 (very late) antigen binding with VCAM-1 immunoglobulin plus 5% human plasma				Bioorg Med Chem Lett 12: 1501-5 (2002) BindingDB Entry DOI: 10.7270/Q2T152X7
					More data for this Ligand-Target Pair