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BDBM50068648 2-[(R)-2-Amino-3-(4-hydroxy-phenyl)-butyryl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid [1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethyl]-amide::CHEMBL2371023

SMILES: C[C@@H]([C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccc(O)cc1

InChI Key: InChIKey=OWGXIRLGXGMAHA-ACRHKWHNSA-N

Data: 3 KI

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50068648   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50068648
PNG
(2-[(R)-2-Amino-3-(4-hydroxy-phenyl)-butyryl]-1,2,3...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccc(O)cc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-16-18-30(44)19-17-27)34(39)38(48)43-23-29-15-9-8-14-28(29)22-33(43)37(47)42-32(21-26-12-6-3-7-13-26)36(46)41-31(35(40)45)20-25-10-4-2-5-11-25/h2-19,24,31-34,44H,20-23,39H2,1H3,(H2,40,45)(H,41,46)(H,42,47)/t24-,31+,32+,33+,34+/m1/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50068648
PNG
(2-[(R)-2-Amino-3-(4-hydroxy-phenyl)-butyryl]-1,2,3...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccc(O)cc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-16-18-30(44)19-17-27)34(39)38(48)43-23-29-15-9-8-14-28(29)22-33(43)37(47)42-32(21-26-12-6-3-7-13-26)36(46)41-31(35(40)45)20-25-10-4-2-5-11-25/h2-19,24,31-34,44H,20-23,39H2,1H3,(H2,40,45)(H,41,46)(H,42,47)/t24-,31+,32+,33+,34+/m1/s1
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UniChem
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1.60E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 on rat forebrain membranes by [3H]sufentanil displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50068648
PNG
(2-[(R)-2-Amino-3-(4-hydroxy-phenyl)-butyryl]-1,2,3...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccc(O)cc1
Show InChI InChI=1S/C38H41N5O5/c1-24(27-16-18-30(44)19-17-27)34(39)38(48)43-23-29-15-9-8-14-28(29)22-33(43)37(47)42-32(21-26-12-6-3-7-13-26)36(46)41-31(35(40)45)20-25-10-4-2-5-11-25/h2-19,24,31-34,44H,20-23,39H2,1H3,(H2,40,45)(H,41,46)(H,42,47)/t24-,31+,32+,33+,34+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 on guinea pig cerebellum membranes by [3H]U-69593 displacement.


J Med Chem 41: 5167-76 (1999)


Article DOI: 10.1021/jm981011u
BindingDB Entry DOI: 10.7270/Q2XK8G7T
More data for this
Ligand-Target Pair