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SMILES: CCc1c([nH]c(C)c1C(C)=O)-c1csc(n1)N1CCNCC1C(=O)NCCc1ccno1

InChI Key:

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 2 hits for monomerid = 50601335   
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
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM50601335
PNG
(CHEMBL5178939)
Show SMILES CCc1c([nH]c(C)c1C(C)=O)-c1csc(n1)N1CCNCC1C(=O)NCCc1ccno1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 7.07E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00173
BindingDB Entry DOI: 10.7270/Q27M0D0Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM50601335
PNG
(CHEMBL5178939)
Show SMILES CCc1c([nH]c(C)c1C(C)=O)-c1csc(n1)N1CCNCC1C(=O)NCCc1ccno1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00173
BindingDB Entry DOI: 10.7270/Q27M0D0Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)