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BDBM50226257 6-(2-(3-morpholinopropyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-yloxy)nicotinamide::CHEMBL238364

SMILES: NC(=O)c1ccc(Oc2ccc3CN(CCCN4CCOCC4)CCCc3c2)nc1

InChI Key: InChIKey=CUKGRYLQUUNDMV-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 = 50226257   
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))
BDBM50226257
PNG
(6-(2-(3-morpholinopropyl)-2,3,4,5-tetrahydro-1H-be...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CN(CCCN4CCOCC4)CCCc3c2)nc1
Show InChI InChI=1S/C23H30N4O3/c24-23(28)19-5-7-22(25-16-19)30-21-6-4-20-17-27(8-1-3-18(20)15-21)10-2-9-26-11-13-29-14-12-26/h4-7,15-16H,1-3,8-14,17H2,(H2,24,28)
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PC cid
PC sid
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Article
PubMed
216n/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))
BDBM50226257
PNG
(6-(2-(3-morpholinopropyl)-2,3,4,5-tetrahydro-1H-be...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CN(CCCN4CCOCC4)CCCc3c2)nc1
Show InChI InChI=1S/C23H30N4O3/c24-23(28)19-5-7-22(25-16-19)30-21-6-4-20-17-27(8-1-3-18(20)15-21)10-2-9-26-11-13-29-14-12-26/h4-7,15-16H,1-3,8-14,17H2,(H2,24,28)
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Article
PubMed
2.58E+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)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50226257
PNG
(6-(2-(3-morpholinopropyl)-2,3,4,5-tetrahydro-1H-be...)
Show SMILES NC(=O)c1ccc(Oc2ccc3CN(CCCN4CCOCC4)CCCc3c2)nc1
Show InChI InChI=1S/C23H30N4O3/c24-23(28)19-5-7-22(25-16-19)30-21-6-4-20-17-27(8-1-3-18(20)15-21)10-2-9-26-11-13-29-14-12-26/h4-7,15-16H,1-3,8-14,17H2,(H2,24,28)
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Article
PubMed
3.25E+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)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair