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BDBM50149378 1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid [2-phenyl-1-((S)-pyridin-4-ylcarbamoyl)-ethyl]-amide::CHEMBL409907

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccncc1

InChI Key: InChIKey=AMHQCADGPIEYBO-QKDODKLFSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50149378   
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))
BDBM50149378
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C30H35N5O4/c1-19-15-23(36)16-20(2)24(19)18-25(31)30(39)35-14-6-9-27(35)29(38)34-26(17-21-7-4-3-5-8-21)28(37)33-22-10-12-32-13-11-22/h3-5,7-8,10-13,15-16,25-27,36H,6,9,14,17-18,31H2,1-2H3,(H,34,38)(H,32,33,37)/t25-,26-,27-/m0/s1
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.360n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50149378
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C30H35N5O4/c1-19-15-23(36)16-20(2)24(19)18-25(31)30(39)35-14-6-9-27(35)29(38)34-26(17-21-7-4-3-5-8-21)28(37)33-22-10-12-32-13-11-22/h3-5,7-8,10-13,15-16,25-27,36H,6,9,14,17-18,31H2,1-2H3,(H,34,38)(H,32,33,37)/t25-,26-,27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
53n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain opioid receptor delta 1 using [3H]-DPDPE radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair