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BDBM50226254 6-(2-butyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-yloxy)nicotinamide::CHEMBL237505

SMILES: CCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1

InChI Key: InChIKey=DMDURTAYDFNOSK-UHFFFAOYSA-N

Data: 2 KI

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

Found 2 hits for monomerid = 50226254   
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))
BDBM50226254
PNG
(6-(2-butyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-...)
Show SMILES CCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C20H25N3O2/c1-2-3-10-23-11-4-5-15-12-18(8-6-17(15)14-23)25-19-9-7-16(13-22-19)20(21)24/h6-9,12-13H,2-5,10-11,14H2,1H3,(H2,21,24)
PDB

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PC cid
PC sid
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Article
PubMed
21n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50226254
PNG
(6-(2-butyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-...)
Show SMILES CCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C20H25N3O2/c1-2-3-10-23-11-4-5-15-12-18(8-6-17(15)14-23)25-19-9-7-16(13-22-19)20(21)24/h6-9,12-13H,2-5,10-11,14H2,1H3,(H2,21,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
504n/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