new BindingDB logo
myBDB logout

BDBM50051770 (1Z,N'E)-N'-((5-amino-4-(morpholinomethyl)pyridin-2-yl)methylene)carbamohydrazonothioic acid::CHEMBL85181

SMILES: NC(=S)NN=Cc1cc(CN2CCOCC2)c(N)cn1

InChI Key: InChIKey=YJSBDJWAONKLBM-UHFFFAOYSA-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 = 50051770   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Ribonucleoside-diphosphate reductase subunit M2


(Homo sapiens (Human))
BDBM50051770
PNG
((1Z,N'E)-N'-((5-amino-4-(morpholinomethyl)pyridin-...)
Show SMILES NC(=S)NN=Cc1cc(CN2CCOCC2)c(N)cn1 |w:4.3|
Show InChI InChI=1S/C12H18N6OS/c13-11-7-15-10(6-16-17-12(14)20)5-9(11)8-18-1-3-19-4-2-18/h5-7H,1-4,8,13H2,(H3,14,17,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibitory activity against CDP reductase.


J Med Chem 39: 2586-93 (1996)


Article DOI: 10.1021/jm9600454
BindingDB Entry DOI: 10.7270/Q2KS6QN9
More data for this
Ligand-Target Pair