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BDBM36187 1-methylhexylamine::Tuaminoheptane

SMILES: CCCCCC(C)[NH3+]

InChI Key: InChIKey=VSRBKQFNFZQRBM-UHFFFAOYSA-O

Data: 2 KI  1 IC50  2 ITC

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 = 36187   
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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM36187
PNG
(1-methylhexylamine | Tuaminoheptane)
Show SMILES CCCCCC(C)[NH3+]
Show InChI InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3/p+1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PubMed
7.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM36187
PNG
(1-methylhexylamine | Tuaminoheptane)
Show SMILES CCCCCC(C)[NH3+]
Show InChI InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3/p+1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
6.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM36187
PNG
(1-methylhexylamine | Tuaminoheptane)
Show SMILES CCCCCC(C)[NH3+]
Show InChI InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3/p+1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 14n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonistic activity towards Opioid receptor mu 1


Citation and Details
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 36187
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM11
JPEG
BDBM36187
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-2.56-3.030.4681.886.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM4
JPEG
BDBM36187
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-3.600.677-4.282.646.9025



NIST





J Phys Chem B 101: 87-100 (1997)