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SMILES: Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(N)=O)c(F)c1

InChI Key: InChIKey=RJSQEFZXMBCIQM-UHFFFAOYSA-N

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 = 50264565   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50264565
PNG
(CHEMBL4069892)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(N)=O)c(F)c1
Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-10-25(23(27)15-19)31-22-8-6-20(7-9-22)26(28)30/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)
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Article
PubMed
29n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from recombinant human kappa-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation countin...


Eur J Med Chem 130: 15-25 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50264565
PNG
(CHEMBL4069892)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(N)=O)c(F)c1
Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-10-25(23(27)15-19)31-22-8-6-20(7-9-22)26(28)30/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)
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Article
PubMed
63n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from recombinant human mu-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting me...


Eur J Med Chem 130: 15-25 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50264565
PNG
(CHEMBL4069892)
Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(N)=O)c(F)c1
Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-10-25(23(27)15-19)31-22-8-6-20(7-9-22)26(28)30/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)
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Article
PubMed
267n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from recombinant human delta-opioid receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation count...


Eur J Med Chem 130: 15-25 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8
More data for this
Ligand-Target Pair