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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50076003   
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)
BDBM50076003
PNG
(3-cyclopropylmethyl-18,18-dimethyl-(15S)-13,16-dio...)
Show SMILES CC1(C)OC23CCC4(CC2C1(C)C)C1Cc2ccc(O)c5OC3C4(CCN1CC1CC1)c25 |TLB:27:26:7:31.15.14,20:31:7:26.24.25,THB:6:7:31.15.14:26.24.25|
Show InChI InChI=1S/C28H37NO3/c1-24(2)19-14-26-9-10-28(19,32-25(24,3)4)23-27(26)11-12-29(15-16-5-6-16)20(26)13-17-7-8-18(30)22(31-23)21(17)27/h7-8,16,19-20,23,30H,5-6,9-15H2,1-4H3
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PC cid
PC sid
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PubMed
0.200n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor in guinea pig brain membranes using [3H]- DAMGO as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)


BindingDB Entry DOI: 10.7270/Q2FT8MJK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50076003
PNG
(3-cyclopropylmethyl-18,18-dimethyl-(15S)-13,16-dio...)
Show SMILES CC1(C)OC23CCC4(CC2C1(C)C)C1Cc2ccc(O)c5OC3C4(CCN1CC1CC1)c25 |TLB:27:26:7:31.15.14,20:31:7:26.24.25,THB:6:7:31.15.14:26.24.25|
Show InChI InChI=1S/C28H37NO3/c1-24(2)19-14-26-9-10-28(19,32-25(24,3)4)23-27(26)11-12-29(15-16-5-6-16)20(26)13-17-7-8-18(30)22(31-23)21(17)27/h7-8,16,19-20,23,30H,5-6,9-15H2,1-4H3
PDB

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.700n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor in guinea pig brain membranes using [3H]- U-69,593 as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)


BindingDB Entry DOI: 10.7270/Q2FT8MJK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50076003
PNG
(3-cyclopropylmethyl-18,18-dimethyl-(15S)-13,16-dio...)
Show SMILES CC1(C)OC23CCC4(CC2C1(C)C)C1Cc2ccc(O)c5OC3C4(CCN1CC1CC1)c25 |TLB:27:26:7:31.15.14,20:31:7:26.24.25,THB:6:7:31.15.14:26.24.25|
Show InChI InChI=1S/C28H37NO3/c1-24(2)19-14-26-9-10-28(19,32-25(24,3)4)23-27(26)11-12-29(15-16-5-6-16)20(26)13-17-7-8-18(30)22(31-23)21(17)27/h7-8,16,19-20,23,30H,5-6,9-15H2,1-4H3
PDB

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PC cid
PC sid
UniChem

Similars

PubMed
0.800n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor in guinea pig brain membranes using [3H]- CI-DPDPE as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)


BindingDB Entry DOI: 10.7270/Q2FT8MJK
More data for this
Ligand-Target Pair