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BDBM50055967 CHEMBL3325714

SMILES: Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(Br)cc1Br

InChI Key: InChIKey=IXQVTUGHVSDDBK-UHFFFAOYSA-N

Data: 1 KI  3 IC50  2 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 = 50055967   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50055967
PNG
(CHEMBL3325714)
Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(Br)cc1Br
Show InChI InChI=1S/C16H16Br2N2O/c1-9-15-13(7-16(2,3)8-14(15)21)20(19-9)12-5-4-10(17)6-11(12)18/h4-6H,7-8H2,1-3H3
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B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
470n/an/an/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from rat mu opioid receptor expressed in HEK cells after 60 mins


Bioorg Med Chem 22: 4694-703 (2014)


Article DOI: 10.1016/j.bmc.2014.07.012
BindingDB Entry DOI: 10.7270/Q2H133NH
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50055967
PNG
(CHEMBL3325714)
Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(Br)cc1Br
Show InChI InChI=1S/C16H16Br2N2O/c1-9-15-13(7-16(2,3)8-14(15)21)20(19-9)12-5-4-10(17)6-11(12)18/h4-6H,7-8H2,1-3H3
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Article
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n/an/an/an/a 5.49E+3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Agonist activity at myc-tagged mu opioid receptor (unknown origin) expressed in AtT-20 cells assessed as induction of membrane potential hyperpolariz...


Bioorg Med Chem 22: 4694-703 (2014)


Article DOI: 10.1016/j.bmc.2014.07.012
BindingDB Entry DOI: 10.7270/Q2H133NH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50055967
PNG
(CHEMBL3325714)
Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(Br)cc1Br
Show InChI InChI=1S/C16H16Br2N2O/c1-9-15-13(7-16(2,3)8-14(15)21)20(19-9)12-5-4-10(17)6-11(12)18/h4-6H,7-8H2,1-3H3
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n/an/a 1.69E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 30 mins b...


Bioorg Med Chem 22: 4694-703 (2014)


Article DOI: 10.1016/j.bmc.2014.07.012
BindingDB Entry DOI: 10.7270/Q2H133NH
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50055967
PNG
(CHEMBL3325714)
Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(Br)cc1Br
Show InChI InChI=1S/C16H16Br2N2O/c1-9-15-13(7-16(2,3)8-14(15)21)20(19-9)12-5-4-10(17)6-11(12)18/h4-6H,7-8H2,1-3H3
PDB

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n/an/an/an/a 41n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed CHO-K1 cells coexpressing Galpha15 assessed as induction of intracellular calcium release by F...


Bioorg Med Chem 22: 4694-703 (2014)


Article DOI: 10.1016/j.bmc.2014.07.012
BindingDB Entry DOI: 10.7270/Q2H133NH
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50055967
PNG
(CHEMBL3325714)
Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(Br)cc1Br
Show InChI InChI=1S/C16H16Br2N2O/c1-9-15-13(7-16(2,3)8-14(15)21)20(19-9)12-5-4-10(17)6-11(12)18/h4-6H,7-8H2,1-3H3
PDB

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n/an/a 410n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 30 mins b...


Bioorg Med Chem 22: 4694-703 (2014)


Article DOI: 10.1016/j.bmc.2014.07.012
BindingDB Entry DOI: 10.7270/Q2H133NH
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50055967
PNG
(CHEMBL3325714)
Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(Br)cc1Br
Show InChI InChI=1S/C16H16Br2N2O/c1-9-15-13(7-16(2,3)8-14(15)21)20(19-9)12-5-4-10(17)6-11(12)18/h4-6H,7-8H2,1-3H3
PDB

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PC cid
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Article
PubMed
n/an/a 730n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 30 mins by H...


Bioorg Med Chem 22: 4694-703 (2014)


Article DOI: 10.1016/j.bmc.2014.07.012
BindingDB Entry DOI: 10.7270/Q2H133NH
More data for this
Ligand-Target Pair