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BDBM50002111 CHEMBL371845

SMILES: O=C1CC[C@@]2(OCCCc3ccccc3)C3Cc4cccc5OC1C2(CCN3CC1CC1)c45

InChI Key: InChIKey=GJFLZGCDXSDABO-JXOQWRPTSA-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 = 50002111   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50002111
PNG
(CHEMBL371845)
Show SMILES O=C1CC[C@@]2(OCCCc3ccccc3)C3Cc4cccc5OC1C2(CCN3CC1CC1)c45 |TLB:5:4:32.17.16:27.25.26,21:32:4:27.25.26,28:27:4:32.17.16|
Show InChI InChI=1S/C29H33NO3/c31-23-13-14-29(32-17-5-8-20-6-2-1-3-7-20)25-18-22-9-4-10-24-26(22)28(29,27(23)33-24)15-16-30(25)19-21-11-12-21/h1-4,6-7,9-10,21,25,27H,5,8,11-19H2/t25?,27?,28?,29-/m1/s1
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PC cid
PC sid
UniChem
Article
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0.830n/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))
BDBM50002111
PNG
(CHEMBL371845)
Show SMILES O=C1CC[C@@]2(OCCCc3ccccc3)C3Cc4cccc5OC1C2(CCN3CC1CC1)c45 |TLB:5:4:32.17.16:27.25.26,21:32:4:27.25.26,28:27:4:32.17.16|
Show InChI InChI=1S/C29H33NO3/c31-23-13-14-29(32-17-5-8-20-6-2-1-3-7-20)25-18-22-9-4-10-24-26(22)28(29,27(23)33-24)15-16-30(25)19-21-11-12-21/h1-4,6-7,9-10,21,25,27H,5,8,11-19H2/t25?,27?,28?,29-/m1/s1
PDB

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PC sid
UniChem
Article
PubMed
23n/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))
BDBM50002111
PNG
(CHEMBL371845)
Show SMILES O=C1CC[C@@]2(OCCCc3ccccc3)C3Cc4cccc5OC1C2(CCN3CC1CC1)c45 |TLB:5:4:32.17.16:27.25.26,21:32:4:27.25.26,28:27:4:32.17.16|
Show InChI InChI=1S/C29H33NO3/c31-23-13-14-29(32-17-5-8-20-6-2-1-3-7-20)25-18-22-9-4-10-24-26(22)28(29,27(23)33-24)15-16-30(25)19-21-11-12-21/h1-4,6-7,9-10,21,25,27H,5,8,11-19H2/t25?,27?,28?,29-/m1/s1
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46n/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