Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-2/beta-1' and Ligand = 'BDBM50446835'   

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-2/beta-1 (Homo sapiens (Human))	BDBM50446835 (CHEMBL3114871) Show SMILES OC(=O)[C@@H]1Cc2cccc(OCCCCOc3cccc(c3)C(=O)N1)c2 |r| Show InChI InChI=1S/C20H21NO5/c22-19-15-6-4-8-17(13-15)26-10-2-1-9-25-16-7-3-5-14(11-16)12-18(21-19)20(23)24/h3-8,11,13,18H,1-2,9-10,12H2,(H,21,22)(H,23,24)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Antagonist activity at recombinant integrin alpha2 beta1 receptor (unknown origin) assessed as inhibition of interaction with biotinylated collagen t...				ACS Med Chem Lett 5: 193-8 (2014) Article DOI: 10.1021/ml4004556 BindingDB Entry DOI: 10.7270/Q2P84DDF
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