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BDBM23300 4-amino-7-chloroquinoline (ACQ)-based compound, 5::7-chloroquinolin-4-amine::CHEMBL44789

SMILES: Nc1ccnc2cc(Cl)ccc12

InChI Key: InChIKey=NDRZSRWMMUGOBP-UHFFFAOYSA-N

Data: 1 IC50  1 Other

PDB links: 5 PDB IDs contain this monomer as substructures. 5 PDB IDs contain inhibitors having a similarity of 90% to 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 3 hits for monomerid = 23300   
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
Botulinum Neurotoxin Type A


(Clostridium botulinum)
BDBM23300
PNG
(4-amino-7-chloroquinoline (ACQ)-based compound, 5 ...)
Show SMILES Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C9H7ClN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,(H2,11,12)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/an/an/an/a7.322



National Cancer Institute at Frederick



Assay Description
Botox A catalyzed the hydrolysis of substrate peptide between residues 11 (glutamine) and 12 (arginine), corresponding to residues 197 and 198 of SNA...


J Med Chem 50: 2127-36 (2007)


Article DOI: 10.1021/jm061446e
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (Human))
BDBM23300
PNG
(4-amino-7-chloroquinoline (ACQ)-based compound, 5 ...)
Show SMILES Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C9H7ClN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,(H2,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

n/an/a 1.68E+5n/an/an/an/an/an/a



Roche Discovery Welwyn

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1691-4 (2003)

More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM23300
PNG
(4-amino-7-chloroquinoline (ACQ)-based compound, 5 ...)
Show SMILES Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C9H7ClN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,(H2,11,12)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of hematin polymerization


J Med Chem 42: 4630-9 (1999)

More data for this
Ligand-Target Pair