BDBM50143574 7-((4aS,7aS)-6-Benzyl-octahydro-pyrrolo[3,4-b]pyridin-1-yl)-2-phenyl-oxazolo[5,4-d]pyrimidine::CHEMBL174158

SMILES: C(N1C[C@@H]2CCCN([C@@H]2C1)c1ncnc2oc(nc12)-c1ccccc1)c1ccccc1

InChI Key: InChIKey=SCGLQKSVTNBWGC-LEWJYISDSA-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 = 50143574   

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
Adenosine kinase (Homo sapiens (Human))	BDBM50143574 (7-((4aS,7aS)-6-Benzyl-octahydro-pyrrolo[3,4-b]pyri...) Show SMILES C(N1C[C@@H]2CCCN([C@@H]2C1)c1ncnc2oc(nc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H25N5O/c1-3-8-18(9-4-1)14-29-15-20-12-7-13-30(21(20)16-29)23-22-25(27-17-26-23)31-24(28-22)19-10-5-2-6-11-19/h1-6,8-11,17,20-21H,7,12-16H2/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
BAYER AG Curated by ChEMBL					Assay Description Inhibitory activity against human adenosine kinase expressed in E. coli				Bioorg Med Chem Lett 14: 1997-2000 (2004) Article DOI: 10.1016/j.bmcl.2004.01.082 BindingDB Entry DOI: 10.7270/Q2GQ6X6B
					More data for this Ligand-Target Pair