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BDBM50453374 CHEMBL67378

SMILES: CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@H](C)N(CC=C)C[C@H]1C)c1cccc(OC)c1

InChI Key: InChIKey=KQWVAUSXZDRQPZ-SNQOLEMDNA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50453374   
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))
BDBM50453374
PNG
(CHEMBL67378)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@H](C)N(CC=C)C[C@H]1C)c1cccc(OC)c1
Show InChI InChI=1/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27+/s2
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PC sid
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PubMed
n/an/a 9.14E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Evaluated for inhibition of [3H]DAMGO binding from mu receptor in rat brain membranes


J Med Chem 37: 2125-8 (1994)


Article DOI: 10.1021/jm00040a002
BindingDB Entry DOI: 10.7270/Q2ZG6SWK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50453374
PNG
(CHEMBL67378)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@H](C)N(CC=C)C[C@H]1C)c1cccc(OC)c1
Show InChI InChI=1/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27+/s2
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n/an/a 31n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for agonist activity against delta opioid receptor mouse vas deferens


J Med Chem 37: 2125-8 (1994)


Article DOI: 10.1021/jm00040a002
BindingDB Entry DOI: 10.7270/Q2ZG6SWK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50453374
PNG
(CHEMBL67378)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@H](C)N(CC=C)C[C@H]1C)c1cccc(OC)c1
Show InChI InChI=1/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27+/s2
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n/an/a 3.5n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for inhibition of binding of [3H]DADLE to mouse brain membranes depleted of mu binding sites by pretreatment with irreversible ligand BIT for ...


J Med Chem 37: 2125-8 (1994)


Article DOI: 10.1021/jm00040a002
BindingDB Entry DOI: 10.7270/Q2ZG6SWK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50453374
PNG
(CHEMBL67378)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@H](C)N(CC=C)C[C@H]1C)c1cccc(OC)c1
Show InChI InChI=1/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27+/s2
UniProtKB/SwissProt

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n/an/a 1.52E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for agonist activity against mu opioid receptor in guinea pig ileum


J Med Chem 37: 2125-8 (1994)


Article DOI: 10.1021/jm00040a002
BindingDB Entry DOI: 10.7270/Q2ZG6SWK
More data for this
Ligand-Target Pair