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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50001705   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(GUINEA PIG)
BDBM50001705
PNG
(CHEMBL343167 | methyl 2-[4-cyclopropylmethyl-17-hy...)
Show SMILES COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C25H29NO6/c1-14(23(28)30-2)13-31-18-6-5-16-11-19-25(29)8-7-17(27)22-24(25,20(16)21(18)32-22)9-10-26(19)12-15-3-4-15/h5-6,15,19,22,29H,1,3-4,7-13H2,2H3/t19-,22+,24+,25-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of opioid receptor mu by displacing 1 nM [3H]DAGO in guinea pig brain membrane


J Med Chem 35: 4589-94 (1993)


BindingDB Entry DOI: 10.7270/Q27S7PCK
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50001705
PNG
(CHEMBL343167 | methyl 2-[4-cyclopropylmethyl-17-hy...)
Show SMILES COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C25H29NO6/c1-14(23(28)30-2)13-31-18-6-5-16-11-19-25(29)8-7-17(27)22-24(25,20(16)21(18)32-22)9-10-26(19)12-15-3-4-15/h5-6,15,19,22,29H,1,3-4,7-13H2,2H3/t19-,22+,24+,25-/m1/s1
PDB

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 10n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of total opioid receptor by displacing 0.5 nM [3H]bremazocine in guinea pig brain membrane


J Med Chem 35: 4589-94 (1993)


BindingDB Entry DOI: 10.7270/Q27S7PCK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001705
PNG
(CHEMBL343167 | methyl 2-[4-cyclopropylmethyl-17-hy...)
Show SMILES COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C25H29NO6/c1-14(23(28)30-2)13-31-18-6-5-16-11-19-25(29)8-7-17(27)22-24(25,20(16)21(18)32-22)9-10-26(19)12-15-3-4-15/h5-6,15,19,22,29H,1,3-4,7-13H2,2H3/t19-,22+,24+,25-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 17n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptor delta 1 by displacing 1 nM [3H]DPDPE in guinea pig brain membrane


J Med Chem 35: 4589-94 (1993)


BindingDB Entry DOI: 10.7270/Q27S7PCK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001705
PNG
(CHEMBL343167 | methyl 2-[4-cyclopropylmethyl-17-hy...)
Show SMILES COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C25H29NO6/c1-14(23(28)30-2)13-31-18-6-5-16-11-19-25(29)8-7-17(27)22-24(25,20(16)21(18)32-22)9-10-26(19)12-15-3-4-15/h5-6,15,19,22,29H,1,3-4,7-13H2,2H3/t19-,22+,24+,25-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 19n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of opioid receptor kappa by displacing 0.5 nM [3H]bremazocine in guinea pig brain membrane


J Med Chem 35: 4589-94 (1993)


BindingDB Entry DOI: 10.7270/Q27S7PCK
More data for this
Ligand-Target Pair