Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50143592'   

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
Adenosine kinase (Homo sapiens (Human))	BDBM50143592 (7-((3aS,6aS)-1-Benzyl-hexahydro-pyrrolo[3,4-b]pyrr...) Show SMILES C(N1CC[C@H]2CN(C[C@@H]12)c1ncnc2oc(nc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H23N5O/c1-3-7-17(8-4-1)13-28-12-11-19-14-29(15-20(19)28)22-21-24(26-16-25-22)30-23(27-21)18-9-5-2-6-10-18/h1-10,16,19-20H,11-15H2/t19-,20+/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	1.5	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
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