Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-1' and Ligand = 'BDBM50108230'   

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))	BDBM50108230 ((S)-3-[4-(4-Benzoyl-piperazine-1-carbonyl)-phenyl]...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccccc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 Show InChI InChI=1S/C33H34N4O6/c38-29-16-15-28(37(29)22-24-7-3-1-4-8-24)30(39)34-27(33(42)43)21-23-11-13-26(14-12-23)32(41)36-19-17-35(18-20-36)31(40)25-9-5-2-6-10-25/h1-14,27-28H,15-22H2,(H,34,39)(H,42,43)/t27-,28-/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	3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in ELISA cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108230 ((S)-3-[4-(4-Benzoyl-piperazine-1-carbonyl)-phenyl]...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccccc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 Show InChI InChI=1S/C33H34N4O6/c38-29-16-15-28(37(29)22-24-7-3-1-4-8-24)30(39)34-27(33(42)43)21-23-11-13-26(14-12-23)32(41)36-19-17-35(18-20-36)31(40)25-9-5-2-6-10-25/h1-14,27-28H,15-22H2,(H,34,39)(H,42,43)/t27-,28-/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	960	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in ELISA cell-based assay				Bioorg Med Chem Lett 12: 137-40 (2001) BindingDB Entry DOI: 10.7270/Q2QN6825
					More data for this Ligand-Target Pair