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BDBM50133891 CHEMBL3634257

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCc4ccccc34)cc12

InChI Key: InChIKey=TTXSDEBRWAKODM-BPNGFBHSNA-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 = 50133891   
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))
BDBM50133891
PNG
(CHEMBL3634257)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCc4ccccc34)cc12 |r|
Show InChI InChI=1/C30H35N3O2/c1-18-13-23(34)14-19(2)25(18)17-27(31)30(35)33-29-11-12-32-28-10-7-20(16-26(28)29)15-22-9-8-21-5-3-4-6-24(21)22/h3-7,10,13-14,16,22,27,29,32,34H,8-9,11-12,15,17,31H2,1-2H3,(H,33,35)/t22?,27-,29+/s2
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0.0500n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50133891
PNG
(CHEMBL3634257)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCc4ccccc34)cc12 |r|
Show InChI InChI=1/C30H35N3O2/c1-18-13-23(34)14-19(2)25(18)17-27(31)30(35)33-29-11-12-32-28-10-7-20(16-26(28)29)15-22-9-8-21-5-3-4-6-24(21)22/h3-7,10,13-14,16,22,27,29,32,34H,8-9,11-12,15,17,31H2,1-2H3,(H,33,35)/t22?,27-,29+/s2
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6.80n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50133891
PNG
(CHEMBL3634257)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCc4ccccc34)cc12 |r|
Show InChI InChI=1/C30H35N3O2/c1-18-13-23(34)14-19(2)25(18)17-27(31)30(35)33-29-11-12-32-28-10-7-20(16-26(28)29)15-22-9-8-21-5-3-4-6-24(21)22/h3-7,10,13-14,16,22,27,29,32,34H,8-9,11-12,15,17,31H2,1-2H3,(H,33,35)/t22?,27-,29+/s2
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19n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa-opioid receptor expressed in CHO cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50133891
PNG
(CHEMBL3634257)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCc4ccccc34)cc12 |r|
Show InChI InChI=1/C30H35N3O2/c1-18-13-23(34)14-19(2)25(18)17-27(31)30(35)33-29-11-12-32-28-10-7-20(16-26(28)29)15-22-9-8-21-5-3-4-6-24(21)22/h3-7,10,13-14,16,22,27,29,32,34H,8-9,11-12,15,17,31H2,1-2H3,(H,33,35)/t22?,27-,29+/s2
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n/an/an/an/a 180n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at human kappa-opioid receptor expressed in CHO cell membrane assessed as [35S]GTPgammaS binding for 1 hr by liquid scintillation co...


J Med Chem 58: 8952-69 (2015)


BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133891
PNG
(CHEMBL3634257)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCc4ccccc34)cc12 |r|
Show InChI InChI=1/C30H35N3O2/c1-18-13-23(34)14-19(2)25(18)17-27(31)30(35)33-29-11-12-32-28-10-7-20(16-26(28)29)15-22-9-8-21-5-3-4-6-24(21)22/h3-7,10,13-14,16,22,27,29,32,34H,8-9,11-12,15,17,31H2,1-2H3,(H,33,35)/t22?,27-,29+/s2
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n/an/an/an/a 9n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat mu-opioid receptor expressed in C6 cell membrane assessed as [35S]GTPgammaS binding for 1 hr by liquid scintillation counting...


J Med Chem 58: 8952-69 (2015)


BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair