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BDBM50002121 CHEMBL370759

SMILES: CO[C@@]12CCC(=O)CC11CCN(CC3CC3)C2Cc2cccc(OCCCc3ccccc3)c12

InChI Key: InChIKey=OBULLBFJGRCFDN-ACZHUXRJSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50002121   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50002121
PNG
(CHEMBL370759)
Show SMILES CO[C@@]12CCC(=O)CC11CCN(CC3CC3)C2Cc2cccc(OCCCc3ccccc3)c12
Show InChI InChI=1S/C30H37NO3/c1-33-30-15-14-25(32)20-29(30)16-17-31(21-23-12-13-23)27(30)19-24-10-5-11-26(28(24)29)34-18-6-9-22-7-3-2-4-8-22/h2-5,7-8,10-11,23,27H,6,9,12-21H2,1H3/t27?,29?,30-/m1/s1
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Article
PubMed
44n/an/an/an/an/an/an/an/a



University of Medicine & Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS)

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 from rat brain membranes using [3H]DAMGO


J Med Chem 48: 1620-9 (2005)

Checked by Author
Article DOI: 10.1021/jm049117e
BindingDB Entry DOI: 10.7270/Q2ZP47MP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002121
PNG
(CHEMBL370759)
Show SMILES CO[C@@]12CCC(=O)CC11CCN(CC3CC3)C2Cc2cccc(OCCCc3ccccc3)c12
Show InChI InChI=1S/C30H37NO3/c1-33-30-15-14-25(32)20-29(30)16-17-31(21-23-12-13-23)27(30)19-24-10-5-11-26(28(24)29)34-18-6-9-22-7-3-2-4-8-22/h2-5,7-8,10-11,23,27H,6,9,12-21H2,1H3/t27?,29?,30-/m1/s1
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Article
PubMed
209n/an/an/an/an/an/an/an/a



University of Medicine & Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS)

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 from guinea pig brain membranes using [3H]U-69593


J Med Chem 48: 1620-9 (2005)

Checked by Author
Article DOI: 10.1021/jm049117e
BindingDB Entry DOI: 10.7270/Q2ZP47MP
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50002121
PNG
(CHEMBL370759)
Show SMILES CO[C@@]12CCC(=O)CC11CCN(CC3CC3)C2Cc2cccc(OCCCc3ccccc3)c12
Show InChI InChI=1S/C30H37NO3/c1-33-30-15-14-25(32)20-29(30)16-17-31(21-23-12-13-23)27(30)19-24-10-5-11-26(28(24)29)34-18-6-9-22-7-3-2-4-8-22/h2-5,7-8,10-11,23,27H,6,9,12-21H2,1H3/t27?,29?,30-/m1/s1
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PubMed
1.41E+3n/an/an/an/an/an/an/an/a



University of Medicine & Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS)

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 from rat brain membranes using [3H]DADLE


J Med Chem 48: 1620-9 (2005)

Checked by Author
Article DOI: 10.1021/jm049117e
BindingDB Entry DOI: 10.7270/Q2ZP47MP
More data for this
Ligand-Target Pair