BDBM50018504 CHEMBL3290654

SMILES: Nc1ncnc2n([C@@H]3CC[C@@H](O)[C@H]3O)c(Br)nc12

InChI Key: InChIKey=MGOVQXRLKVDSIY-XAHCXIQSSA-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 = 50018504   

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))	BDBM50018504 (CHEMBL3290654) Show SMILES Nc1ncnc2n([C@@H]3CC[C@@H](O)[C@H]3O)c(Br)nc12 |r| Show InChI InChI=1S/C10H12BrN5O2/c11-10-15-6-8(12)13-3-14-9(6)16(10)4-1-2-5(17)7(4)18/h3-5,7,17-18H,1-2H2,(H2,12,13,14)/t4-,5-,7+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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))	BDBM50018504 (CHEMBL3290654) Show SMILES Nc1ncnc2n([C@@H]3CC[C@@H](O)[C@H]3O)c(Br)nc12 |r| Show InChI InChI=1S/C10H12BrN5O2/c11-10-15-6-8(12)13-3-14-9(6)16(10)4-1-2-5(17)7(4)18/h3-5,7,17-18H,1-2H2,(H2,12,13,14)/t4-,5-,7+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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