BDBM50140074 CHEMBL2059155::US10227373, Compound 3-Bromo-3-deazaneplanocin

SMILES: Nc1ncc(Br)c2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=PDMBCGAGDFHPGP-ONOSFVFSSA-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 = 50140074   

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
S-Adenosylhomocysteine Hydrolase (Oryctolagus cuniculus (Rabbit))	BDBM50140074 (CHEMBL2059155 | US10227373, Compound 3-Bromo-3-dea...) Show SMILES Nc1ncc(Br)c2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O |r,t:14| Show InChI InChI=1S/C12H13BrN4O3/c13-6-2-15-12(14)8-9(6)17(4-16-8)7-1-5(3-18)10(19)11(7)20/h1-2,4,7,10-11,18-20H,3H2,(H2,14,15)/t7-,10-,11+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description As a consequence of "D"-Isoneplanocin and "L"-Isoneplanocin, being isomers of Neplanocin A, which on one hand is a potent inhibitor of S-adenosylhomo...				J Med Chem 51: 1904-12 (2008) BindingDB Entry DOI: 10.7270/Q24Q7X8H
					More data for this Ligand-Target Pair
Adenosylhomocysteinase 2 (Homo sapiens (Human))	BDBM50140074 (CHEMBL2059155 | US10227373, Compound 3-Bromo-3-dea...) Show SMILES Nc1ncc(Br)c2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O |r,t:14| Show InChI InChI=1S/C12H13BrN4O3/c13-6-2-15-12(14)8-9(6)17(4-16-8)7-1-5(3-18)10(19)11(7)20/h1-2,4,7,10-11,18-20H,3H2,(H2,14,15)/t7-,10-,11+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70	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