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BDBM50303634 17-Methylmorphinan-3-yl 4-Iodophenyl Carbamate::CHEMBL568989

SMILES: CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(OC(=O)Nc2ccc(I)cc2)cc31

InChI Key: InChIKey=YGDGBZQTGCWFHN-BGWNEDDSSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50303634   
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))
BDBM50303634
PNG
(17-Methylmorphinan-3-yl 4-Iodophenyl Carbamate | C...)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(OC(=O)Nc2ccc(I)cc2)cc31 |r|
Show InChI InChI=1S/C24H27IN2O2/c1-27-13-12-24-11-3-2-4-20(24)22(27)14-16-5-10-19(15-21(16)24)29-23(28)26-18-8-6-17(25)7-9-18/h5-10,15,20,22H,2-4,11-14H2,1H3,(H,26,28)/t20-,22+,24+/m0/s1
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PC cid
PC sid
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Article
PubMed
0.340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 53: 402-18 (2010)


Article DOI: 10.1021/jm9013482
BindingDB Entry DOI: 10.7270/Q2668D84
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303634
PNG
(17-Methylmorphinan-3-yl 4-Iodophenyl Carbamate | C...)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(OC(=O)Nc2ccc(I)cc2)cc31 |r|
Show InChI InChI=1S/C24H27IN2O2/c1-27-13-12-24-11-3-2-4-20(24)22(27)14-16-5-10-19(15-21(16)24)29-23(28)26-18-8-6-17(25)7-9-18/h5-10,15,20,22H,2-4,11-14H2,1H3,(H,26,28)/t20-,22+,24+/m0/s1
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Article
PubMed
5.20n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 53: 402-18 (2010)


Article DOI: 10.1021/jm9013482
BindingDB Entry DOI: 10.7270/Q2668D84
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50303634
PNG
(17-Methylmorphinan-3-yl 4-Iodophenyl Carbamate | C...)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(OC(=O)Nc2ccc(I)cc2)cc31 |r|
Show InChI InChI=1S/C24H27IN2O2/c1-27-13-12-24-11-3-2-4-20(24)22(27)14-16-5-10-19(15-21(16)24)29-23(28)26-18-8-6-17(25)7-9-18/h5-10,15,20,22H,2-4,11-14H2,1H3,(H,26,28)/t20-,22+,24+/m0/s1
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UniChem

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Article
PubMed
160n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 53: 402-18 (2010)


Article DOI: 10.1021/jm9013482
BindingDB Entry DOI: 10.7270/Q2668D84
More data for this
Ligand-Target Pair