Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-5/beta-1' and Ligand = 'BDBM50383796'   

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-5/beta-1 (Homo sapiens (Human))	BDBM50383796 (CHEMBL2030962) Show SMILES CNc1cccc(CCOc2c(C)cc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2C)n1 |r| Show InChI InChI=1S/C26H27Cl2N3O4/c1-15-12-17(13-16(2)24(15)35-11-10-18-6-4-9-22(29-3)30-18)14-21(26(33)34)31-25(32)23-19(27)7-5-8-20(23)28/h4-9,12-13,21H,10-11,14H2,1-3H3,(H,29,30)(H,31,32)(H,33,34)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to integrin alpha5beta1				Bioorg Med Chem Lett 22: 4117-21 (2012) Article DOI: 10.1016/j.bmcl.2012.04.061 BindingDB Entry DOI: 10.7270/Q2M61M8P
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50383796 (CHEMBL2030962) Show SMILES CNc1cccc(CCOc2c(C)cc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2C)n1 |r| Show InChI InChI=1S/C26H27Cl2N3O4/c1-15-12-17(13-16(2)24(15)35-11-10-18-6-4-9-22(29-3)30-18)14-21(26(33)34)31-25(32)23-19(27)7-5-8-20(23)28/h4-9,12-13,21H,10-11,14H2,1-3H3,(H,29,30)(H,31,32)(H,33,34)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion				Bioorg Med Chem Lett 22: 4117-21 (2012) Article DOI: 10.1016/j.bmcl.2012.04.061 BindingDB Entry DOI: 10.7270/Q2M61M8P
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50383796 (CHEMBL2030962) Show SMILES CNc1cccc(CCOc2c(C)cc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2C)n1 |r| Show InChI InChI=1S/C26H27Cl2N3O4/c1-15-12-17(13-16(2)24(15)35-11-10-18-6-4-9-22(29-3)30-18)14-21(26(33)34)31-25(32)23-19(27)7-5-8-20(23)28/h4-9,12-13,21H,10-11,14H2,1-3H3,(H,29,30)(H,31,32)(H,33,34)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429				Bioorg Med Chem Lett 22: 4117-21 (2012) Article DOI: 10.1016/j.bmcl.2012.04.061 BindingDB Entry DOI: 10.7270/Q2M61M8P
					More data for this Ligand-Target Pair