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BDBM50226264 6-(2-(3,3-dimethylbutyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-yloxy)nicotinamide::CHEMBL396637

SMILES: CC(C)(C)CCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1

InChI Key: InChIKey=APGOIOSHPGLHQN-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 = 50226264   
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))
BDBM50226264
PNG
(6-(2-(3,3-dimethylbutyl)-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES CC(C)(C)CCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C22H29N3O2/c1-22(2,3)10-12-25-11-4-5-16-13-19(8-6-18(16)15-25)27-20-9-7-17(14-24-20)21(23)26/h6-9,13-14H,4-5,10-12,15H2,1-3H3,(H2,23,26)
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Article
PubMed
18n/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
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50226264
PNG
(6-(2-(3,3-dimethylbutyl)-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES CC(C)(C)CCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C22H29N3O2/c1-22(2,3)10-12-25-11-4-5-16-13-19(8-6-18(16)15-25)27-20-9-7-17(14-24-20)21(23)26/h6-9,13-14H,4-5,10-12,15H2,1-3H3,(H2,23,26)
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Article
PubMed
72n/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
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50226264
PNG
(6-(2-(3,3-dimethylbutyl)-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES CC(C)(C)CCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C22H29N3O2/c1-22(2,3)10-12-25-11-4-5-16-13-19(8-6-18(16)15-25)27-20-9-7-17(14-24-20)21(23)26/h6-9,13-14H,4-5,10-12,15H2,1-3H3,(H2,23,26)
PDB

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DrugBank
antibodypedia
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PC sid
UniChem

Patents


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Article
PubMed
409n/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