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BDBM50226265 6-(3-benzyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yloxy)nicotinamide::CHEMBL237293

SMILES: NC(=O)c1ccc(Oc2ccc3CCN(Cc4ccccc4)CCc3c2)nc1

InChI Key: InChIKey=AMTZKDOKNZADMQ-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 = 50226265   
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))
BDBM50226265
PNG
(6-(3-benzyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CCN(Cc4ccccc4)CCc3c2)nc1
Show InChI InChI=1S/C23H23N3O2/c24-23(27)20-7-9-22(25-15-20)28-21-8-6-18-10-12-26(13-11-19(18)14-21)16-17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2,(H2,24,27)
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Article
PubMed
406n/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)

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


(Homo sapiens (human))
BDBM50226265
PNG
(6-(3-benzyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CCN(Cc4ccccc4)CCc3c2)nc1
Show InChI InChI=1S/C23H23N3O2/c24-23(27)20-7-9-22(25-15-20)28-21-8-6-18-10-12-26(13-11-19(18)14-21)16-17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2,(H2,24,27)
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Article
PubMed
2.71E+3n/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)

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


(Homo sapiens (human))
BDBM50226265
PNG
(6-(3-benzyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CCN(Cc4ccccc4)CCc3c2)nc1
Show InChI InChI=1S/C23H23N3O2/c24-23(27)20-7-9-22(25-15-20)28-21-8-6-18-10-12-26(13-11-19(18)14-21)16-17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2,(H2,24,27)
PDB

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DrugBank
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PC sid
UniChem

Patents


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Article
PubMed
2.87E+3n/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)

More data for this
Ligand-Target Pair