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BDBM50300368 4aS,9aR,2'R-(-)-cis-2-(2'-Hydroxy-2-phenylethyl)-4a-ethyl-1,2,3,4,4a,9a-hexahydrobenzofuro[2,3-c]pyridin-6-ol::CHEMBL566527

SMILES: CC[C@@]12CCN(C[C@H](O)c3ccccc3)C[C@@H]1Oc1ccc(O)cc21

InChI Key: InChIKey=IWQGUHXUWMPTNL-JBACZVJFSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50300368   
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


(Homo sapiens (Human))
BDBM50300368
PNG
(4aS,9aR,2'R-(-)-cis-2-(2'-Hydroxy-2-phenylethyl)-4...)
Show SMILES CC[C@@]12CCN(C[C@H](O)c3ccccc3)C[C@@H]1Oc1ccc(O)cc21 |r|
Show InChI InChI=1S/C21H25NO3/c1-2-21-10-11-22(13-18(24)15-6-4-3-5-7-15)14-20(21)25-19-9-8-16(23)12-17(19)21/h3-9,12,18,20,23-24H,2,10-11,13-14H2,1H3/t18-,20-,21-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
80n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholi

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells


J Med Chem 52: 7570-9 (2009)


Article DOI: 10.1021/jm9004225
BindingDB Entry DOI: 10.7270/Q2FF3SFM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50300368
PNG
(4aS,9aR,2'R-(-)-cis-2-(2'-Hydroxy-2-phenylethyl)-4...)
Show SMILES CC[C@@]12CCN(C[C@H](O)c3ccccc3)C[C@@H]1Oc1ccc(O)cc21 |r|
Show InChI InChI=1S/C21H25NO3/c1-2-21-10-11-22(13-18(24)15-6-4-3-5-7-15)14-20(21)25-19-9-8-16(23)12-17(19)21/h3-9,12,18,20,23-24H,2,10-11,13-14H2,1H3/t18-,20-,21-/m0/s1
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807n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholi

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in CHO cells


J Med Chem 52: 7570-9 (2009)


Article DOI: 10.1021/jm9004225
BindingDB Entry DOI: 10.7270/Q2FF3SFM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50300368
PNG
(4aS,9aR,2'R-(-)-cis-2-(2'-Hydroxy-2-phenylethyl)-4...)
Show SMILES CC[C@@]12CCN(C[C@H](O)c3ccccc3)C[C@@H]1Oc1ccc(O)cc21 |r|
Show InChI InChI=1S/C21H25NO3/c1-2-21-10-11-22(13-18(24)15-6-4-3-5-7-15)14-20(21)25-19-9-8-16(23)12-17(19)21/h3-9,12,18,20,23-24H,2,10-11,13-14H2,1H3/t18-,20-,21-/m0/s1
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1.09E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholi

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells


J Med Chem 52: 7570-9 (2009)


Article DOI: 10.1021/jm9004225
BindingDB Entry DOI: 10.7270/Q2FF3SFM
More data for this
Ligand-Target Pair