BDBM50446808 CHEMBL3115070

SMILES: OC(=O)C1CCc2cn(CCCCOc3ccc(Cl)c(c3)C(=O)N1)cn2

InChI Key: InChIKey=NVXMKRZEAIXPMU-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50446808   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrin alpha2/beta1 (Homo sapiens (Human))	BDBM50446808 (CHEMBL3115070) Show SMILES OC(=O)C1CCc2cn(CCCCOc3ccc(Cl)c(c3)C(=O)N1)cn2 Show InChI InChI=1S/C18H20ClN3O4/c19-15-5-4-13-9-14(15)17(23)21-16(18(24)25)6-3-12-10-22(11-20-12)7-1-2-8-26-13/h4-5,9-11,16H,1-3,6-8H2,(H,21,23)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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
					More data for this Ligand-Target Pair