BindingDB logo
myBDB logout

BDBM50457479 CHEMBL1159812

SMILES: CSCCC(N)CS

InChI Key: InChIKey=NSPBTQHSHXESOT-UHFFFAOYSA-N

Data: 3 KI  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 4 hits for monomerid = 50457479   
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
Aminopeptidase


(Homo sapiens (Human))
BDBM50457479
PNG
(CHEMBL1159812)
Show SMILES CSCCC(N)CS
Show InChI InChI=1S/C5H13NS2/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
8n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of APN in human placenta using AlabetaNA as substrate


J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase B


(Rattus norvegicus)
BDBM50457479
PNG
(CHEMBL1159812)
Show SMILES CSCCC(N)CS
Show InChI InChI=1S/C5H13NS2/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of APB in rat testis using ArgbetaNA as substrate


J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase A


(Homo sapiens (Human))
BDBM50457479
PNG
(CHEMBL1159812)
Show SMILES CSCCC(N)CS
Show InChI InChI=1S/C5H13NS2/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.72E+4n/an/an/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of APA (unknown origin) using GlubetaNA as substrate after 30 mins


J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens (Human))
BDBM50457479
PNG
(CHEMBL1159812)
Show SMILES CSCCC(N)CS
Show InChI InChI=1S/C5H13NS2/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of APN (unknown origin)


J Med Chem 61: 6468-6490 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00782
BindingDB Entry DOI: 10.7270/Q28S4SHS
More data for this
Ligand-Target Pair