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BDBM50148910 CHEMBL3770668

SMILES: Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12

InChI Key: InChIKey=POSRSBGSQMKPAD-UHGYTFENNA-N

Data: 3 KI  2 EC50

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 5 hits for monomerid = 50148910   
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))
BDBM50148910
PNG
(CHEMBL3770668)
Show SMILES Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C26H29N3O2/c1-17-13-21(30)9-8-20(17)16-23(27)26(31)29-25-11-12-28-24-10-7-19(15-22(24)25)14-18-5-3-2-4-6-18/h2-10,13,15,23,25,28,30H,11-12,14,16,27H2,1H3,(H,29,31)/t23-,25+/s2
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1.70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method


ACS Med Chem Lett 6: 1199-203 (2015)


BindingDB Entry DOI: 10.7270/Q20V8FN5
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50148910
PNG
(CHEMBL3770668)
Show SMILES Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C26H29N3O2/c1-17-13-21(30)9-8-20(17)16-23(27)26(31)29-25-11-12-28-24-10-7-19(15-22(24)25)14-18-5-3-2-4-6-18/h2-10,13,15,23,25,28,30H,11-12,14,16,27H2,1H3,(H,29,31)/t23-,25+/s2
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42n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat DOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method


ACS Med Chem Lett 6: 1199-203 (2015)


BindingDB Entry DOI: 10.7270/Q20V8FN5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50148910
PNG
(CHEMBL3770668)
Show SMILES Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C26H29N3O2/c1-17-13-21(30)9-8-20(17)16-23(27)26(31)29-25-11-12-28-24-10-7-19(15-22(24)25)14-18-5-3-2-4-6-18/h2-10,13,15,23,25,28,30H,11-12,14,16,27H2,1H3,(H,29,31)/t23-,25+/s2
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96n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 hr by liquid scintillation counting method


ACS Med Chem Lett 6: 1199-203 (2015)


BindingDB Entry DOI: 10.7270/Q20V8FN5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50148910
PNG
(CHEMBL3770668)
Show SMILES Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C26H29N3O2/c1-17-13-21(30)9-8-20(17)16-23(27)26(31)29-25-11-12-28-24-10-7-19(15-22(24)25)14-18-5-3-2-4-6-18/h2-10,13,15,23,25,28,30H,11-12,14,16,27H2,1H3,(H,29,31)/t23-,25+/s2
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n/an/an/an/a 2.40E+3n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells after 1 hr by [35S]GTPgammaS binding assay


ACS Med Chem Lett 6: 1199-203 (2015)


BindingDB Entry DOI: 10.7270/Q20V8FN5
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50148910
PNG
(CHEMBL3770668)
Show SMILES Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C26H29N3O2/c1-17-13-21(30)9-8-20(17)16-23(27)26(31)29-25-11-12-28-24-10-7-19(15-22(24)25)14-18-5-3-2-4-6-18/h2-10,13,15,23,25,28,30H,11-12,14,16,27H2,1H3,(H,29,31)/t23-,25+/s2
PDB

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UniChem
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n/an/an/an/a 44n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat MOR expressed in rat C6 cells after 1 hr by [35S]GTPgammaS binding assay


ACS Med Chem Lett 6: 1199-203 (2015)


BindingDB Entry DOI: 10.7270/Q20V8FN5
More data for this
Ligand-Target Pair