Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-1' and Ligand = 'BDBM50134700'   

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))	BDBM50134700 ((S)-4-(Benzenesulfonyl-methyl-amino)-4-{(S)-1-carb...) Show SMILES CN([C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(O)=O)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H28Cl2N2O8S/c1-32(41(38,39)20-6-3-2-4-7-20)25(14-15-26(33)34)27(35)31-24(28(36)37)16-18-10-12-19(13-11-18)40-17-21-22(29)8-5-9-23(21)30/h2-13,24-25H,14-17H2,1H3,(H,31,35)(H,33,34)(H,36,37)/t24-,25-/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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibition of CS-1 fragment binding to Very late antigen 4 expressed in Ramos cells in 10% fetal bovine serum(FBS)				Bioorg Med Chem Lett 13: 3875-8 (2003) BindingDB Entry DOI: 10.7270/Q2F47QF6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50134700 ((S)-4-(Benzenesulfonyl-methyl-amino)-4-{(S)-1-carb...) Show SMILES CN([C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(O)=O)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H28Cl2N2O8S/c1-32(41(38,39)20-6-3-2-4-7-20)25(14-15-26(33)34)27(35)31-24(28(36)37)16-18-10-12-19(13-11-18)40-17-21-22(29)8-5-9-23(21)30/h2-13,24-25H,14-17H2,1H3,(H,31,35)(H,33,34)(H,36,37)/t24-,25-/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	2	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Curated by ChEMBL					Assay Description Inhibition of CS-1 fragment binding to Very late antigen 4 (VLA-4) expressed in Ramos cells				Bioorg Med Chem Lett 13: 3875-8 (2003) BindingDB Entry DOI: 10.7270/Q2F47QF6
					More data for this Ligand-Target Pair