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BDBM50083165 (S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid tert-butylamide::CHEMBL146108

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C

InChI Key: InChIKey=ASKBYBNQNYTQNX-VXKWHMMOSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50083165   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50083165
PNG
((S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C25H33N3O3/c1-15-10-19(29)11-16(2)20(15)13-21(26)24(31)28-14-18-9-7-6-8-17(18)12-22(28)23(30)27-25(3,4)5/h6-11,21-22,29H,12-14,26H2,1-5H3,(H,27,30)/t21-,22-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.430n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 from rat brain synaptosomal preparations by [3H]N,N-(Me)2-Dmt-Tic-OH displacement.


J Med Chem 42: 5010-9 (2000)


Article DOI: 10.1021/jm990165m
BindingDB Entry DOI: 10.7270/Q2VX0FQG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50083165
PNG
((S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C25H33N3O3/c1-15-10-19(29)11-16(2)20(15)13-21(26)24(31)28-14-18-9-7-6-8-17(18)12-22(28)23(30)27-25(3,4)5/h6-11,21-22,29H,12-14,26H2,1-5H3,(H,27,30)/t21-,22-/m0/s1
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PC sid
UniChem

Similars

Article
PubMed
0.930n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 from rat brain synaptosomal preparations by H-Dmt-Tic-OH displacement.


J Med Chem 42: 5010-9 (2000)


Article DOI: 10.1021/jm990165m
BindingDB Entry DOI: 10.7270/Q2VX0FQG
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50083165
PNG
((S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C25H33N3O3/c1-15-10-19(29)11-16(2)20(15)13-21(26)24(31)28-14-18-9-7-6-8-17(18)12-22(28)23(30)27-25(3,4)5/h6-11,21-22,29H,12-14,26H2,1-5H3,(H,27,30)/t21-,22-/m0/s1
PDB

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B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.96n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor mu 1 from rat brain synaptosomal preparations by [3H]-DAGO displacement.


J Med Chem 42: 5010-9 (2000)


Article DOI: 10.1021/jm990165m
BindingDB Entry DOI: 10.7270/Q2VX0FQG
More data for this
Ligand-Target Pair