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BDBM50084135 3-[((S)-4-Benzyl-2-methyl-piperazin-1-yl)-(4-tert-butyl-phenyl)-methyl]-phenol::CHEMBL151416

SMILES: C[C@H]1CN(Cc2ccccc2)CCN1C(c1ccc(cc1)C(C)(C)C)c1cccc(O)c1

InChI Key: InChIKey=AHXMJVFHPCQZOY-XYXHBKGXSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50084135   
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


(MOUSE)
BDBM50084135
PNG
(3-[((S)-4-Benzyl-2-methyl-piperazin-1-yl)-(4-tert-...)
Show SMILES C[C@H]1CN(Cc2ccccc2)CCN1C(c1ccc(cc1)C(C)(C)C)c1cccc(O)c1
Show InChI InChI=1S/C29H36N2O/c1-22-20-30(21-23-9-6-5-7-10-23)17-18-31(22)28(25-11-8-12-27(32)19-25)24-13-15-26(16-14-24)29(2,3)4/h5-16,19,22,28,32H,17-18,20-21H2,1-4H3/t22-,28?/m0/s1
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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity of the compound was determined using electrically induced smooth muscle contraction of mouse vas deferens.


J Med Chem 42: 5359-68 (2000)


Article DOI: 10.1021/jm990337f
BindingDB Entry DOI: 10.7270/Q23777XM
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50084135
PNG
(3-[((S)-4-Benzyl-2-methyl-piperazin-1-yl)-(4-tert-...)
Show SMILES C[C@H]1CN(Cc2ccccc2)CCN1C(c1ccc(cc1)C(C)(C)C)c1cccc(O)c1
Show InChI InChI=1S/C29H36N2O/c1-22-20-30(21-23-9-6-5-7-10-23)17-18-31(22)28(25-11-8-12-27(32)19-25)24-13-15-26(16-14-24)29(2,3)4/h5-16,19,22,28,32H,17-18,20-21H2,1-4H3/t22-,28?/m0/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-DAMGO (Tyr-D-Ala-Gly-(Me)-Phe-Gly-ol) binding to Opioid receptor mu 1 using rat brain membranes


J Med Chem 42: 5359-68 (2000)


Article DOI: 10.1021/jm990337f
BindingDB Entry DOI: 10.7270/Q23777XM
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50084135
PNG
(3-[((S)-4-Benzyl-2-methyl-piperazin-1-yl)-(4-tert-...)
Show SMILES C[C@H]1CN(Cc2ccccc2)CCN1C(c1ccc(cc1)C(C)(C)C)c1cccc(O)c1
Show InChI InChI=1S/C29H36N2O/c1-22-20-30(21-23-9-6-5-7-10-23)17-18-31(22)28(25-11-8-12-27(32)19-25)24-13-15-26(16-14-24)29(2,3)4/h5-16,19,22,28,32H,17-18,20-21H2,1-4H3/t22-,28?/m0/s1
PDB

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B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-deltorphin binding to Opioid receptor delta 1 using rat brain membranes.


J Med Chem 42: 5359-68 (2000)


Article DOI: 10.1021/jm990337f
BindingDB Entry DOI: 10.7270/Q23777XM
More data for this
Ligand-Target Pair