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BDBM50018722 2-Amino-N-(1-{[(1,3-dimethyl-butylcarbamoyl)-methyl]-carbamoyl}-2-hydroxy-ethyl)-3-(4-hydroxy-phenyl)-propionamide::CHEMBL2370599

SMILES: CC(C)CC(C)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1

InChI Key: InChIKey=ASQQCHZPNVTTRH-ZMKYACIDSA-N

Data: 2 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50018722   
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))
BDBM50018722
PNG
(2-Amino-N-(1-{[(1,3-dimethyl-butylcarbamoyl)-methy...)
Show SMILES CC(C)CC(C)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C20H32N4O5/c1-12(2)8-13(3)23-18(27)10-22-20(29)17(11-25)24-19(28)16(21)9-14-4-6-15(26)7-5-14/h4-7,12-13,16-17,25-26H,8-11,21H2,1-3H3,(H,22,29)(H,23,27)(H,24,28)/t13?,16-,17+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
43n/an/an/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAGO binding to mu 1 opioid receptor in rat brain membranes


J Med Chem 31: 374-83 (1988)


Article DOI: 10.1021/jm00397a019
BindingDB Entry DOI: 10.7270/Q21R6R37
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50018722
PNG
(2-Amino-N-(1-{[(1,3-dimethyl-butylcarbamoyl)-methy...)
Show SMILES CC(C)CC(C)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C20H32N4O5/c1-12(2)8-13(3)23-18(27)10-22-20(29)17(11-25)24-19(28)16(21)9-14-4-6-15(26)7-5-14/h4-7,12-13,16-17,25-26H,8-11,21H2,1-3H3,(H,22,29)(H,23,27)(H,24,28)/t13?,16-,17+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.37E+3n/an/an/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of [3H]DSLET binding to delta 1 opioid receptors in rat brain membranes


J Med Chem 31: 374-83 (1988)


Article DOI: 10.1021/jm00397a019
BindingDB Entry DOI: 10.7270/Q21R6R37
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50018722
PNG
(2-Amino-N-(1-{[(1,3-dimethyl-butylcarbamoyl)-methy...)
Show SMILES CC(C)CC(C)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C20H32N4O5/c1-12(2)8-13(3)23-18(27)10-22-20(29)17(11-25)24-19(28)16(21)9-14-4-6-15(26)7-5-14/h4-7,12-13,16-17,25-26H,8-11,21H2,1-3H3,(H,22,29)(H,23,27)(H,24,28)/t13?,16-,17+/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 718n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contraction of guinea pig ileum (myenteric plexus:longitudinal muscle preparation) by antagonist action at mu 1 opi...


J Med Chem 31: 374-83 (1988)


Article DOI: 10.1021/jm00397a019
BindingDB Entry DOI: 10.7270/Q21R6R37
More data for this
Ligand-Target Pair