BDBM50446818 CHEMBL3115059

SMILES: OC(=O)[C@@H]1Cc2cn(C\C=C\COc3ccc(Cl)c(c3)C(=O)N1)nn2

InChI Key: InChIKey=FCYAEWBZIOBHAX-YUKKFKLSSA-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 = 50446818   

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))	BDBM50446818 (CHEMBL3115059) Show SMILES OC(=O)[C@@H]1Cc2cn(C\C=C\COc3ccc(Cl)c(c3)C(=O)N1)nn2 |r,t:9| Show InChI InChI=1S/C16H15ClN4O4/c17-13-4-3-11-8-12(13)15(22)18-14(16(23)24)7-10-9-21(20-19-10)5-1-2-6-25-11/h1-4,8-9,14H,5-7H2,(H,18,22)(H,23,24)/b2-1+/t14-/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	34	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