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BDBM50131719 CHEMBL39560::acepromazine

SMILES: CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(C)=O

InChI Key: InChIKey=NOSIYYJFMPDDSA-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50131719   
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
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50131719
PNG
(CHEMBL39560 | acepromazine)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(C)=O
Show InChI InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.02E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)

More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM50131719
PNG
(CHEMBL39560 | acepromazine)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(C)=O
Show InChI InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 5.00E+3n/an/an/an/a



Institut f£r Molekularbiologie und Biophysik

Curated by ChEMBL


Assay Description
Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells


J Med Chem 46: 3563-4 (2003)

More data for this
Ligand-Target Pair