BDBM50140075 CHEMBL3753637

SMILES: Nc1nccc2n(cnc12)C1=C[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=PCJCKCSFBICBNZ-PFZYVWIYSA-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 = 50140075   

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
Adenosylhomocysteinase 2 (Homo sapiens (Human))	BDBM50140075 (CHEMBL3753637) Show SMILES Nc1nccc2n(cnc12)C1=C[C@H](CO)[C@@H](O)[C@H]1O |r,t:12| Show InChI InChI=1S/C12H14N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-3,5-6,10-11,17-19H,4H2,(H2,13,14)/t6-,10-,11+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibition of S-adenosylhomocysteine hydrolase (unknown origin)				Bioorg Med Chem Lett 26: 928-30 (2016) BindingDB Entry DOI: 10.7270/Q2R49SMT
					More data for this Ligand-Target Pair