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BDBM50226249 6-(2-hexyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-yloxy)nicotinamide::CHEMBL237716

SMILES: CCCCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1

InChI Key: InChIKey=KGIYPXCVFCYVBF-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50226249   
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))
BDBM50226249
PNG
(6-(2-hexyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-...)
Show SMILES CCCCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C22H29N3O2/c1-2-3-4-5-12-25-13-6-7-17-14-20(10-8-19(17)16-25)27-21-11-9-18(15-24-21)22(23)26/h8-11,14-15H,2-7,12-13,16H2,1H3,(H2,23,26)
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Article
PubMed
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)

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


(Homo sapiens (human))
BDBM50226249
PNG
(6-(2-hexyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-...)
Show SMILES CCCCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C22H29N3O2/c1-2-3-4-5-12-25-13-6-7-17-14-20(10-8-19(17)16-25)27-21-11-9-18(15-24-21)22(23)26/h8-11,14-15H,2-7,12-13,16H2,1H3,(H2,23,26)
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Article
PubMed
116n/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))
BDBM50226249
PNG
(6-(2-hexyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-...)
Show SMILES CCCCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C22H29N3O2/c1-2-3-4-5-12-25-13-6-7-17-14-20(10-8-19(17)16-25)27-21-11-9-18(15-24-21)22(23)26/h8-11,14-15H,2-7,12-13,16H2,1H3,(H2,23,26)
PDB

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PC sid
UniChem

Patents


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Article
PubMed
163n/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