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BDBM50226255 6-(2-(3-cyclohexylpropyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-yloxy)nicotinamide::CHEMBL238157

SMILES: NC(=O)c1ccc(Oc2ccc3CN(CCCC4CCCCC4)CCCc3c2)nc1

InChI Key: InChIKey=ZCLPHNKXKGRTBI-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 = 50226255   
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))
BDBM50226255
PNG
(6-(2-(3-cyclohexylpropyl)-2,3,4,5-tetrahydro-1H-be...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CN(CCCC4CCCCC4)CCCc3c2)nc1
Show InChI InChI=1S/C25H33N3O2/c26-25(29)21-11-13-24(27-17-21)30-23-12-10-22-18-28(15-5-9-20(22)16-23)14-4-8-19-6-2-1-3-7-19/h10-13,16-17,19H,1-9,14-15,18H2,(H2,26,29)
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Article
PubMed
42n/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))
BDBM50226255
PNG
(6-(2-(3-cyclohexylpropyl)-2,3,4,5-tetrahydro-1H-be...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CN(CCCC4CCCCC4)CCCc3c2)nc1
Show InChI InChI=1S/C25H33N3O2/c26-25(29)21-11-13-24(27-17-21)30-23-12-10-22-18-28(15-5-9-20(22)16-23)14-4-8-19-6-2-1-3-7-19/h10-13,16-17,19H,1-9,14-15,18H2,(H2,26,29)
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Article
PubMed
466n/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))
BDBM50226255
PNG
(6-(2-(3-cyclohexylpropyl)-2,3,4,5-tetrahydro-1H-be...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CN(CCCC4CCCCC4)CCCc3c2)nc1
Show InChI InChI=1S/C25H33N3O2/c26-25(29)21-11-13-24(27-17-21)30-23-12-10-22-18-28(15-5-9-20(22)16-23)14-4-8-19-6-2-1-3-7-19/h10-13,16-17,19H,1-9,14-15,18H2,(H2,26,29)
PDB

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DrugBank
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PC cid
PC sid
UniChem

Patents


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Article
PubMed
704n/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