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SMILES: CC(C)(C)c1ccc(cc1)C(N1CCN(Cc2ccccc2)C[C@@H]1CO)c1cccc(O)c1

InChI Key: InChIKey=ANLPBQYTVZSEEV-HSLSYKTRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50084134   
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


(Rattus norvegicus (rat))
BDBM50084134
PNG
(3-[((R)-4-Benzyl-2-hydroxymethyl-piperazin-1-yl)-(...)
Show SMILES CC(C)(C)c1ccc(cc1)C(N1CCN(Cc2ccccc2)C[C@@H]1CO)c1cccc(O)c1
Show InChI InChI=1S/C29H36N2O2/c1-29(2,3)25-14-12-23(13-15-25)28(24-10-7-11-27(33)18-24)31-17-16-30(20-26(31)21-32)19-22-8-5-4-6-9-22/h4-15,18,26,28,32-33H,16-17,19-21H2,1-3H3/t26-,28?/m1/s1
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.98E+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)


BindingDB Entry DOI: 10.7270/Q23777XM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50084134
PNG
(3-[((R)-4-Benzyl-2-hydroxymethyl-piperazin-1-yl)-(...)
Show SMILES CC(C)(C)c1ccc(cc1)C(N1CCN(Cc2ccccc2)C[C@@H]1CO)c1cccc(O)c1
Show InChI InChI=1S/C29H36N2O2/c1-29(2,3)25-14-12-23(13-15-25)28(24-10-7-11-27(33)18-24)31-17-16-30(20-26(31)21-32)19-22-8-5-4-6-9-22/h4-15,18,26,28,32-33H,16-17,19-21H2,1-3H3/t26-,28?/m1/s1
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PubMed
n/an/a 2.26E+3n/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)


BindingDB Entry DOI: 10.7270/Q23777XM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50084134
PNG
(3-[((R)-4-Benzyl-2-hydroxymethyl-piperazin-1-yl)-(...)
Show SMILES CC(C)(C)c1ccc(cc1)C(N1CCN(Cc2ccccc2)C[C@@H]1CO)c1cccc(O)c1
Show InChI InChI=1S/C29H36N2O2/c1-29(2,3)25-14-12-23(13-15-25)28(24-10-7-11-27(33)18-24)31-17-16-30(20-26(31)21-32)19-22-8-5-4-6-9-22/h4-15,18,26,28,32-33H,16-17,19-21H2,1-3H3/t26-,28?/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
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UniChem

Similars

PubMed
n/an/a 38n/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)


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