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SMILES: OC(CNCc1ccc(Cl)cc1Cl)c1cccc(O)c1

InChI Key: InChIKey=FDMOJDWENIPPIZ-UHFFFAOYSA-N

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 = 50265482   
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


(Homo sapiens (Human))
BDBM50265482
PNG
(CHEMBL4071661)
Show SMILES OC(CNCc1ccc(Cl)cc1Cl)c1cccc(O)c1
Show InChI InChI=1S/C15H15Cl2NO2/c16-12-5-4-11(14(17)7-12)8-18-9-15(20)10-2-1-3-13(19)6-10/h1-7,15,18-20H,8-9H2
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Article
PubMed
83n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Displacement of 3H-U69593 from human KOR expressed in HEK293 cells after 90 mins by micro beta scintillation counting analysis


J Med Chem 60: 3070-3081 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00109
BindingDB Entry DOI: 10.7270/Q2VQ354M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50265482
PNG
(CHEMBL4071661)
Show SMILES OC(CNCc1ccc(Cl)cc1Cl)c1cccc(O)c1
Show InChI InChI=1S/C15H15Cl2NO2/c16-12-5-4-11(14(17)7-12)8-18-9-15(20)10-2-1-3-13(19)6-10/h1-7,15,18-20H,8-9H2
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Article
PubMed
90n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Displacement of 3H-U69593 from human KOR expressed in HEK293 cells after 90 mins by micro beta scintillation counting analysis


J Med Chem 60: 3070-3081 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00109
BindingDB Entry DOI: 10.7270/Q2VQ354M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50265482
PNG
(CHEMBL4071661)
Show SMILES OC(CNCc1ccc(Cl)cc1Cl)c1cccc(O)c1
Show InChI InChI=1S/C15H15Cl2NO2/c16-12-5-4-11(14(17)7-12)8-18-9-15(20)10-2-1-3-13(19)6-10/h1-7,15,18-20H,8-9H2
PDB

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Article
PubMed
230n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Antagonist activity at KOR (unknown origin) expressed in HTLA cells assessed as inhibition of Sal A-induced beta-arrestin recruitment preincubated fo...


J Med Chem 60: 3070-3081 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00109
BindingDB Entry DOI: 10.7270/Q2VQ354M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50265482
PNG
(CHEMBL4071661)
Show SMILES OC(CNCc1ccc(Cl)cc1Cl)c1cccc(O)c1
Show InChI InChI=1S/C15H15Cl2NO2/c16-12-5-4-11(14(17)7-12)8-18-9-15(20)10-2-1-3-13(19)6-10/h1-7,15,18-20H,8-9H2
PDB

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PC sid
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Article
PubMed
234n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Antagonist activity at KOR (unknown origin) expressed in HTLA cells assessed as inhibition of Sal A-induced beta-arrestin recruitment preincubated fo...


J Med Chem 60: 3070-3081 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00109
BindingDB Entry DOI: 10.7270/Q2VQ354M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50265482
PNG
(CHEMBL4071661)
Show SMILES OC(CNCc1ccc(Cl)cc1Cl)c1cccc(O)c1
Show InChI InChI=1S/C15H15Cl2NO2/c16-12-5-4-11(14(17)7-12)8-18-9-15(20)10-2-1-3-13(19)6-10/h1-7,15,18-20H,8-9H2
PDB

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PC cid
PC sid
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Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Antagonist activity at KOR (unknown origin) expressed in HTLA cells assessed as inhibition of Sal A-induced beta-arrestin recruitment preincubated fo...


J Med Chem 60: 3070-3081 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00109
BindingDB Entry DOI: 10.7270/Q2VQ354M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50265482
PNG
(CHEMBL4071661)
Show SMILES OC(CNCc1ccc(Cl)cc1Cl)c1cccc(O)c1
Show InChI InChI=1S/C15H15Cl2NO2/c16-12-5-4-11(14(17)7-12)8-18-9-15(20)10-2-1-3-13(19)6-10/h1-7,15,18-20H,8-9H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Antagonist activity at KOR (unknown origin) expressed in HTLA cells assessed as inhibition of Sal A-induced beta-arrestin recruitment preincubated fo...


J Med Chem 60: 3070-3081 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00109
BindingDB Entry DOI: 10.7270/Q2VQ354M
More data for this
Ligand-Target Pair