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BDBM50402785 CHEMBL2208360

SMILES: CCOc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4C(C)C(C)(CCN4CC4CC4)c3c2)cc1

InChI Key: InChIKey=BJLACMXLNVBWES-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 = 50402785   
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))
BDBM50402785
PNG
(CHEMBL2208360)
Show SMILES CCOc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4C(C)C(C)(CCN4CC4CC4)c3c2)cc1 |TLB:31:30:24:21.35.22,36:35:24:30.29.28|
Show InChI InChI=1S/C35H42N2O2/c1-4-39-31-15-13-28(14-16-31)27-9-7-25(8-10-27)17-19-36-34(38)30-12-11-29-22-33-24(2)35(3,32(29)21-30)18-20-37(33)23-26-5-6-26/h7-16,21,24,26,33H,4-6,17-20,22-23H2,1-3H3,(H,36,38)
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PC cid
PC sid
UniChem
Article
PubMed
0.640n/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))
BDBM50402785
PNG
(CHEMBL2208360)
Show SMILES CCOc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4C(C)C(C)(CCN4CC4CC4)c3c2)cc1 |TLB:31:30:24:21.35.22,36:35:24:30.29.28|
Show InChI InChI=1S/C35H42N2O2/c1-4-39-31-15-13-28(14-16-31)27-9-7-25(8-10-27)17-19-36-34(38)30-12-11-29-22-33-24(2)35(3,32(29)21-30)18-20-37(33)23-26-5-6-26/h7-16,21,24,26,33H,4-6,17-20,22-23H2,1-3H3,(H,36,38)
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PC sid
UniChem
Article
PubMed
3.30n/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))
BDBM50402785
PNG
(CHEMBL2208360)
Show SMILES CCOc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4C(C)C(C)(CCN4CC4CC4)c3c2)cc1 |TLB:31:30:24:21.35.22,36:35:24:30.29.28|
Show InChI InChI=1S/C35H42N2O2/c1-4-39-31-15-13-28(14-16-31)27-9-7-25(8-10-27)17-19-36-34(38)30-12-11-29-22-33-24(2)35(3,32(29)21-30)18-20-37(33)23-26-5-6-26/h7-16,21,24,26,33H,4-6,17-20,22-23H2,1-3H3,(H,36,38)
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PC cid
PC sid
UniChem
Article
PubMed
3.40n/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