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BDBM50119519 CHEMBL3613884

SMILES: OC(=O)C(F)(F)F.CCC(=O)N(C1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1

InChI Key: InChIKey=AHMIMHSFVOEQKB-GJFSDDNBSA-N

Data: 2 KI  2 IC50

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 4 hits for monomerid = 50119519   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50119519
PNG
(CHEMBL3613884)
Show SMILES OC(=O)C(F)(F)F.CCC(=O)N(C1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1
Show InChI InChI=1S/C25H33N3O.C2HF3O2/c1-2-25(29)28(21-8-4-3-5-9-21)22-13-15-27(16-14-22)18-19-11-12-23-20(17-19)7-6-10-24(23)26;3-2(4,5)1(6)7/h3-5,8-9,11-12,17,22,24H,2,6-7,10,13-16,18,26H2,1H3;(H,6,7)/t24-;/m1./s1
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Article
PubMed
40n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from rat mu opioid receptor transfected in HN9.10 cell membranes by scintillation counting analysis


Bioorg Med Chem 23: 6185-94 (2015)


Article DOI: 10.1016/j.bmc.2015.07.071
BindingDB Entry DOI: 10.7270/Q2S46TSN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50119519
PNG
(CHEMBL3613884)
Show SMILES OC(=O)C(F)(F)F.CCC(=O)N(C1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1
Show InChI InChI=1S/C25H33N3O.C2HF3O2/c1-2-25(29)28(21-8-4-3-5-9-21)22-13-15-27(16-14-22)18-19-11-12-23-20(17-19)7-6-10-24(23)26;3-2(4,5)1(6)7/h3-5,8-9,11-12,17,22,24H,2,6-7,10,13-16,18,26H2,1H3;(H,6,7)/t24-;/m1./s1
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from human delta opioid receptor transfected in HN9.10 cell membranes by scintillation counting analysis


Bioorg Med Chem 23: 6185-94 (2015)


Article DOI: 10.1016/j.bmc.2015.07.071
BindingDB Entry DOI: 10.7270/Q2S46TSN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50119519
PNG
(CHEMBL3613884)
Show SMILES OC(=O)C(F)(F)F.CCC(=O)N(C1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1
Show InChI InChI=1S/C25H33N3O.C2HF3O2/c1-2-25(29)28(21-8-4-3-5-9-21)22-13-15-27(16-14-22)18-19-11-12-23-20(17-19)7-6-10-24(23)26;3-2(4,5)1(6)7/h3-5,8-9,11-12,17,22,24H,2,6-7,10,13-16,18,26H2,1H3;(H,6,7)/t24-;/m1./s1
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Article
PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in electrically-stimulated guinea pig isolated ileum assessed as inhibition of muscle contraction


Bioorg Med Chem 23: 6185-94 (2015)


Article DOI: 10.1016/j.bmc.2015.07.071
BindingDB Entry DOI: 10.7270/Q2S46TSN
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50119519
PNG
(CHEMBL3613884)
Show SMILES OC(=O)C(F)(F)F.CCC(=O)N(C1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1
Show InChI InChI=1S/C25H33N3O.C2HF3O2/c1-2-25(29)28(21-8-4-3-5-9-21)22-13-15-27(16-14-22)18-19-11-12-23-20(17-19)7-6-10-24(23)26;3-2(4,5)1(6)7/h3-5,8-9,11-12,17,22,24H,2,6-7,10,13-16,18,26H2,1H3;(H,6,7)/t24-;/m1./s1
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Article
PubMed
n/an/a 95n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from rat mu opioid receptor transfected in HN9.10 cell membranes by scintillation counting analysis


Bioorg Med Chem 23: 6185-94 (2015)


Article DOI: 10.1016/j.bmc.2015.07.071
BindingDB Entry DOI: 10.7270/Q2S46TSN
More data for this
Ligand-Target Pair