Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-2/beta-1' and Ligand = 'BDBM50446806'   

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))	BDBM50446806 (CHEMBL3115072) Show SMILES OC(=O)[C@@H]1Cc2cn(CCCCCOc3ccc(Cl)c(c3)C(=O)N1)cn2 |r| Show InChI InChI=1S/C18H20ClN3O4/c19-15-5-4-13-9-14(15)17(23)21-16(18(24)25)8-12-10-22(11-20-12)6-2-1-3-7-26-13/h4-5,9-11,16H,1-3,6-8H2,(H,21,23)(H,24,25)/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	731	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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