new BindingDB logo
myBDB logout

BDBM50055063 CHEMBL3323510

SMILES: OC1CCN(C1)C1CCCC2NCCN(C12)C(=O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=RDLSULOPTIRHKK-UHFFFAOYNA-N

Data: 5 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 6 hits for monomerid = 50055063   
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
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50055063
PNG
(CHEMBL3323510)
Show SMILES OC1CCN(C1)C1CCCC2NCCN(C12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C20H27Cl2N3O2/c21-15-5-4-13(10-16(15)22)11-19(27)25-9-7-23-17-2-1-3-18(20(17)25)24-8-6-14(26)12-24/h4-5,10,14,17-18,20,23,26H,1-3,6-9,11-12H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.80n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis


J Med Chem 57: 6845-60 (2014)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50055063
PNG
(CHEMBL3323510)
Show SMILES OC1CCN(C1)C1CCCC2NCCN(C12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C20H27Cl2N3O2/c21-15-5-4-13(10-16(15)22)11-19(27)25-9-7-23-17-2-1-3-18(20(17)25)24-8-6-14(26)12-24/h4-5,10,14,17-18,20,23,26H,1-3,6-9,11-12H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.70n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis


J Med Chem 57: 6845-60 (2014)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50055063
PNG
(CHEMBL3323510)
Show SMILES OC1CCN(C1)C1CCCC2NCCN(C12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C20H27Cl2N3O2/c21-15-5-4-13(10-16(15)22)11-19(27)25-9-7-23-17-2-1-3-18(20(17)25)24-8-6-14(26)12-24/h4-5,10,14,17-18,20,23,26H,1-3,6-9,11-12H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
16n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis


J Med Chem 57: 6845-60 (2014)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50055063
PNG
(CHEMBL3323510)
Show SMILES OC1CCN(C1)C1CCCC2NCCN(C12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C20H27Cl2N3O2/c21-15-5-4-13(10-16(15)22)11-19(27)25-9-7-23-17-2-1-3-18(20(17)25)24-8-6-14(26)12-24/h4-5,10,14,17-18,20,23,26H,1-3,6-9,11-12H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
19n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-977 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis


J Med Chem 57: 6845-60 (2014)

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


(Homo sapiens (human))
BDBM50055063
PNG
(CHEMBL3323510)
Show SMILES OC1CCN(C1)C1CCCC2NCCN(C12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C20H27Cl2N3O2/c21-15-5-4-13(10-16(15)22)11-19(27)25-9-7-23-17-2-1-3-18(20(17)25)24-8-6-14(26)12-24/h4-5,10,14,17-18,20,23,26H,1-3,6-9,11-12H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.90E+3n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from human mu opioid receptor expressed in CHO-K1 cells by scintillation counting analysis


J Med Chem 57: 6845-60 (2014)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50055063
PNG
(CHEMBL3323510)
Show SMILES OC1CCN(C1)C1CCCC2NCCN(C12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C20H27Cl2N3O2/c21-15-5-4-13(10-16(15)22)11-19(27)25-9-7-23-17-2-1-3-18(20(17)25)24-8-6-14(26)12-24/h4-5,10,14,17-18,20,23,26H,1-3,6-9,11-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 35n/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in HEK-293 cells assessed as stimulation of [35S]-GTPgammaS binding after 30 mins by liquid...


J Med Chem 57: 6845-60 (2014)

More data for this
Ligand-Target Pair