BDBM50018501 CHEMBL3290650

SMILES: Nc1nccn2c(cnc12)[C@@H]1CC[C@@H](O)[C@H]1O

InChI Key: InChIKey=BDFNQTDHTKBKRY-ZQARSLAVSA-N

Data: 2 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 2 hits for monomerid = 50018501   

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 (Homo sapiens (Human))	BDBM50018501 (CHEMBL3290650) Show SMILES Nc1nccn2c(cnc12)[C@@H]1CC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H14N4O2/c12-10-11-14-5-7(15(11)4-3-13-10)6-1-2-8(16)9(6)17/h3-6,8-9,16-17H,1-2H2,(H2,12,13)/t6-,8+,9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of AHCY in human SH-SY5Y cells assessed as formation of homocysteine after 48 hrs by HPLC analysis				Bioorg Med Chem Lett 24: 2737-40 (2014) Article DOI: 10.1016/j.bmcl.2014.04.034 BindingDB Entry DOI: 10.7270/Q2VM4DTT
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50018501 (CHEMBL3290650) Show SMILES Nc1nccn2c(cnc12)[C@@H]1CC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H14N4O2/c12-10-11-14-5-7(15(11)4-3-13-10)6-1-2-8(16)9(6)17/h3-6,8-9,16-17H,1-2H2,(H2,12,13)/t6-,8+,9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human AHCY using SAH as substrate assessed as formation of homocysteine after 10 mins				Bioorg Med Chem Lett 24: 2737-40 (2014) Article DOI: 10.1016/j.bmcl.2014.04.034 BindingDB Entry DOI: 10.7270/Q2VM4DTT
					More data for this Ligand-Target Pair