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BDBM50226250 6-(2-pentyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-yloxy)nicotinamide::CHEMBL237506

SMILES: CCCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1

InChI Key: InChIKey=QMDAVBXCILMTKZ-UHFFFAOYSA-N

Data: 3 KI

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 = 50226250   
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-type opioid receptor


(Homo sapiens (Human))
BDBM50226250
PNG
(6-(2-pentyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7...)
Show SMILES CCCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C21H27N3O2/c1-2-3-4-11-24-12-5-6-16-13-19(9-7-18(16)15-24)26-20-10-8-17(14-23-20)21(22)25/h7-10,13-14H,2-6,11-12,15H2,1H3,(H2,22,25)
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12n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from cloned human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50226250
PNG
(6-(2-pentyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7...)
Show SMILES CCCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C21H27N3O2/c1-2-3-4-11-24-12-5-6-16-13-19(9-7-18(16)15-24)26-20-10-8-17(14-23-20)21(22)25/h7-10,13-14H,2-6,11-12,15H2,1H3,(H2,22,25)
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PC sid
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Article
PubMed
106n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from cloned human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50226250
PNG
(6-(2-pentyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7...)
Show SMILES CCCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C21H27N3O2/c1-2-3-4-11-24-12-5-6-16-13-19(9-7-18(16)15-24)26-20-10-8-17(14-23-20)21(22)25/h7-10,13-14H,2-6,11-12,15H2,1H3,(H2,22,25)
PDB

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PC cid
PC sid
UniChem

Patents

Article
PubMed
187n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from cloned human delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair