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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 241.3
BDBM50017030

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50017030
PNG
(3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-me...)
Show SMILES C[C@H]1C2Cc3ccccc3[C@@]1(C)CCN2CC=C |TLB:15:14:1:9.3.4,8:9:1:14.12.13|
Show InChI InChI=1S/C17H23N/c1-4-10-18-11-9-17(3)13(2)16(18)12-14-7-5-6-8-15(14)17/h4-8,13,16H,1,9-12H2,2-3H3/t13-,16?,17-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 50n/an/an/an/an/an/a



G. D. Searle& Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- N-allylnormetazocine ([3H]NANM) binding to sigma receptor


J Med Chem 32: 1242-8 (1989)


BindingDB Entry DOI: 10.7270/Q2CR5TXJ
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50017030
PNG
(3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-me...)
Show SMILES C[C@H]1C2Cc3ccccc3[C@@]1(C)CCN2CC=C |TLB:15:14:1:9.3.4,8:9:1:14.12.13|
Show InChI InChI=1S/C17H23N/c1-4-10-18-11-9-17(3)13(2)16(18)12-14-7-5-6-8-15(14)17/h4-8,13,16H,1,9-12H2,2-3H3/t13-,16?,17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 760n/an/an/an/an/an/a



G. D. Searle& Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]1-[1-(2-thienyl) piperidine ([3H]TCP) binding to phencyclidine receptor


J Med Chem 32: 1242-8 (1989)


BindingDB Entry DOI: 10.7270/Q2CR5TXJ
More data for this
Ligand-Target Pair