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BDBM50236868 CHEMBL4091184

SMILES: [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)cc1

InChI Key:

Data: 2 KI  1 EC50

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 = 50236868   
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50236868
PNG
(CHEMBL4091184)
Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)cc1 |r|
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.650n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35248 from dopamine transporter (DAT) of rat striatal membrane


J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50236868
PNG
(CHEMBL4091184)
Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)cc1 |r|
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
365n/an/an/an/an/an/an/an/a



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL




J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50236868
PNG
(CHEMBL4091184)
Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)cc1 |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



Dr. August Wolff GmbH& Co. KG Arzneimittel

Curated by ChEMBL




J Med Chem 60: 2526-2551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z
More data for this
Ligand-Target Pair