BDBM50339505 (+/-)-6-[4-[(Phenylthio)methyl]phenyl]-6,7-dihydrobenzo-[b]pyrrolo[1,2-d][1,4]oxazepin-7-one::CHEMBL1688588

SMILES: O=C1C(Oc2ccccc2-n2cccc12)c1ccc(CSc2ccccc2)cc1

InChI Key: InChIKey=OICBJAQENNZRMO-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50339505   

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))	BDBM50339505 ((+/-)-6-[4-[(Phenylthio)methyl]phenyl]-6,7-dihydro...) Show SMILES O=C1C(Oc2ccccc2-n2cccc12)c1ccc(CSc2ccccc2)cc1 Show InChI InChI=1S/C25H19NO2S/c27-24-22-10-6-16-26(22)21-9-4-5-11-23(21)28-25(24)19-14-12-18(13-15-19)17-29-20-7-2-1-3-8-20/h1-16,25H,17H2	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	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Siena Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B
					More data for this Ligand-Target Pair