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BDBM50088741 CHEMBL273404::N,N-Diethyl-4-({(1R,3R,5S)-8-[2-(4-fluoro-phenyl)-ethyl]-8-aza-bicyclo[3.2.1]oct-3-yl}-phenyl-amino)-benzamide

SMILES: CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccc(F)cc1)c1ccccc1

InChI Key: InChIKey=FUKIDEYBKKSYRM-YHTXFFTCSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50088741   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50088741
PNG
(CHEMBL273404 | N,N-Diethyl-4-({(1R,3R,5S)-8-[2-(4-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C32H38FN3O/c1-3-34(4-2)32(37)25-12-16-28(17-13-25)36(27-8-6-5-7-9-27)31-22-29-18-19-30(23-31)35(29)21-20-24-10-14-26(33)15-11-24/h5-17,29-31H,3-4,18-23H2,1-2H3/t29-,30+,31+
PDB

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B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
24n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPDPE radioligand binding to rat opioid receptor delta 1 site from rat brain membranes


Bioorg Med Chem Lett 10: 1109-11 (2000)


Article DOI: 10.1016/s0960-894x(00)00182-7
BindingDB Entry DOI: 10.7270/Q2X0668B
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50088741
PNG
(CHEMBL273404 | N,N-Diethyl-4-({(1R,3R,5S)-8-[2-(4-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C32H38FN3O/c1-3-34(4-2)32(37)25-12-16-28(17-13-25)36(27-8-6-5-7-9-27)31-22-29-18-19-30(23-31)35(29)21-20-24-10-14-26(33)15-11-24/h5-17,29-31H,3-4,18-23H2,1-2H3/t29-,30+,31+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
311n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 from rat brain membranes


Bioorg Med Chem Lett 10: 1109-11 (2000)


Article DOI: 10.1016/s0960-894x(00)00182-7
BindingDB Entry DOI: 10.7270/Q2X0668B
More data for this
Ligand-Target Pair