Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-2/beta-1' and Ligand = 'BDBM50446826'   

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))	BDBM50446826 (CHEMBL3115051) Show SMILES OC(=O)[C@@H]1Cc2cccc(OC\C=C\COc3cc(c(cn3)C(=O)N1)C(F)(F)F)c2 |r,t:12| Show InChI InChI=1S/C20H17F3N2O5/c21-20(22,23)15-10-17-24-11-14(15)18(26)25-16(19(27)28)9-12-4-3-5-13(8-12)29-6-1-2-7-30-17/h1-5,8,10-11,16H,6-7,9H2,(H,25,26)(H,27,28)/b2-1+/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	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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