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SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(Cc3ccccc3)cc12

InChI Key: InChIKey=SBTLNIGOFFIEFE-RRPNLBNLSA-N

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 4 hits for monomerid = 50133887   
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133887
PNG
(CHEMBL3634248)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C28H32N2O2/c1-18-13-23(31)14-19(2)24(18)17-26(29)28(32)30-27-10-6-9-22-12-11-21(16-25(22)27)15-20-7-4-3-5-8-20/h3-5,7-8,11-14,16,26-27,31H,6,9-10,15,17,29H2,1-2H3,(H,30,32)/t26-,27+/m0/s1
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PC cid
PC sid
UniChem
PubMed
0.0450n/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
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133887
PNG
(CHEMBL3634248)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C28H32N2O2/c1-18-13-23(31)14-19(2)24(18)17-26(29)28(32)30-27-10-6-9-22-12-11-21(16-25(22)27)15-20-7-4-3-5-8-20/h3-5,7-8,11-14,16,26-27,31H,6,9-10,15,17,29H2,1-2H3,(H,30,32)/t26-,27+/m0/s1
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4n/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))
BDBM50133887
PNG
(CHEMBL3634248)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C28H32N2O2/c1-18-13-23(31)14-19(2)24(18)17-26(29)28(32)30-27-10-6-9-22-12-11-21(16-25(22)27)15-20-7-4-3-5-8-20/h3-5,7-8,11-14,16,26-27,31H,6,9-10,15,17,29H2,1-2H3,(H,30,32)/t26-,27+/m0/s1
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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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133887
PNG
(CHEMBL3634248)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C28H32N2O2/c1-18-13-23(31)14-19(2)24(18)17-26(29)28(32)30-27-10-6-9-22-12-11-21(16-25(22)27)15-20-7-4-3-5-8-20/h3-5,7-8,11-14,16,26-27,31H,6,9-10,15,17,29H2,1-2H3,(H,30,32)/t26-,27+/m0/s1
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n/an/an/an/a 2.90n/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