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BDBM50402782 CHEMBL2208345

SMILES: CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=VGXRCKABUWPZDJ-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 = 50402782   
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))
BDBM50402782
PNG
(CHEMBL2208345)
Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc(OC(F)(F)F)cc1 |TLB:15:14:1:4.9.3,8:9:1:14.13.12|
Show InChI InChI=1S/C34H37F3N2O2/c1-22-31-20-27-9-10-28(19-30(27)33(22,2)16-18-39(31)21-24-3-4-24)32(40)38-17-15-23-5-7-25(8-6-23)26-11-13-29(14-12-26)41-34(35,36)37/h5-14,19,22,24,31H,3-4,15-18,20-21H2,1-2H3,(H,38,40)
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1.80n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 7340-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.081
BindingDB Entry DOI: 10.7270/Q2N017Q6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50402782
PNG
(CHEMBL2208345)
Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc(OC(F)(F)F)cc1 |TLB:15:14:1:4.9.3,8:9:1:14.13.12|
Show InChI InChI=1S/C34H37F3N2O2/c1-22-31-20-27-9-10-28(19-30(27)33(22,2)16-18-39(31)21-24-3-4-24)32(40)38-17-15-23-5-7-25(8-6-23)26-11-13-29(14-12-26)41-34(35,36)37/h5-14,19,22,24,31H,3-4,15-18,20-21H2,1-2H3,(H,38,40)
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5.20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 7340-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.081
BindingDB Entry DOI: 10.7270/Q2N017Q6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50402782
PNG
(CHEMBL2208345)
Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc(OC(F)(F)F)cc1 |TLB:15:14:1:4.9.3,8:9:1:14.13.12|
Show InChI InChI=1S/C34H37F3N2O2/c1-22-31-20-27-9-10-28(19-30(27)33(22,2)16-18-39(31)21-24-3-4-24)32(40)38-17-15-23-5-7-25(8-6-23)26-11-13-29(14-12-26)41-34(35,36)37/h5-14,19,22,24,31H,3-4,15-18,20-21H2,1-2H3,(H,38,40)
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Article
PubMed
6.60n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


Bioorg Med Chem Lett 22: 7340-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.081
BindingDB Entry DOI: 10.7270/Q2N017Q6
More data for this
Ligand-Target Pair