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BDBM50417586 CHEMBL1642744

SMILES: NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCc2cccc(F)c2)cc1

InChI Key: InChIKey=BZYRMCWIFYJDQA-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 = 50417586   
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))
BDBM50417586
PNG
(CHEMBL1642744)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCc2cccc(F)c2)cc1
Show InChI InChI=1S/C24H24FN3O/c25-21-5-1-3-18(13-21)16-27-15-17-6-9-22(10-7-17)28-12-2-4-19-14-20(24(26)29)8-11-23(19)28/h1,3,5-11,13-14,27H,2,4,12,15-16H2,(H2,26,29)
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PC sid
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.010
BindingDB Entry DOI: 10.7270/Q2KD2051
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50417586
PNG
(CHEMBL1642744)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCc2cccc(F)c2)cc1
Show InChI InChI=1S/C24H24FN3O/c25-21-5-1-3-18(13-21)16-27-15-17-6-9-22(10-7-17)28-12-2-4-19-14-20(24(26)29)8-11-23(19)28/h1,3,5-11,13-14,27H,2,4,12,15-16H2,(H2,26,29)
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.010
BindingDB Entry DOI: 10.7270/Q2KD2051
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50417586
PNG
(CHEMBL1642744)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCc2cccc(F)c2)cc1
Show InChI InChI=1S/C24H24FN3O/c25-21-5-1-3-18(13-21)16-27-15-17-6-9-22(10-7-17)28-12-2-4-19-14-20(24(26)29)8-11-23(19)28/h1,3,5-11,13-14,27H,2,4,12,15-16H2,(H2,26,29)
PDB

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631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.010
BindingDB Entry DOI: 10.7270/Q2KD2051
More data for this
Ligand-Target Pair