Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-2/beta-1' and Ligand = 'BDBM50446839'   

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))	BDBM50446839 (CHEMBL3114867) Show SMILES OC(=O)[C@@H]1Cc2ccc(OC\C=C\COc3cccc(Cl)c3C(=O)N1)cc2 |r,t:11| Show InChI InChI=1S/C20H18ClNO5/c21-15-4-3-5-17-18(15)19(23)22-16(20(24)25)12-13-6-8-14(9-7-13)26-10-1-2-11-27-17/h1-9,16H,10-12H2,(H,22,23)(H,24,25)/b2-1+/t16-/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	178	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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