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BDBM50030937 CHEMBL3356579

SMILES: CC1(C)CNC(=O)c2sc(N)nc2C1

InChI Key: InChIKey=KRPZAWRISMXVDQ-UHFFFAOYSA-N

Data: 1 Kd

PDB links: 1 PDB ID matches this monomer.

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 = 50030937   
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
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50030937
PNG
(CHEMBL3356579)
Show SMILES CC1(C)CNC(=O)c2sc(N)nc2C1
Show InChI InChI=1S/C9H13N3OS/c1-9(2)3-5-6(7(13)11-4-9)14-8(10)12-5/h3-4H2,1-2H3,(H2,10,12)(H,11,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 5.00E+5n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human ATAD2 (979 to 1108 aa) expressed in Escherichia coli BL21 (DE3) by SOFAST-HMQC NMR spectroscopy


J Med Chem 57: 9687-92 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)