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BDBM50018709 2-Amino-N-(2-tert-butoxy-1-{[(1,3-dimethyl-butylcarbamoyl)-methyl]-carbamoyl}-ethyl)-3-(4-hydroxy-phenyl)-propionamide::CHEMBL2370600

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

InChI Key: InChIKey=PDXVJTHNKZZZIA-KHMGXFTDSA-N

Data: 2 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50018709   
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))
BDBM50018709
PNG
(2-Amino-N-(2-tert-butoxy-1-{[(1,3-dimethyl-butylca...)
Show SMILES CC(C)CC(C)NC(=O)CNC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C24H40N4O5/c1-15(2)11-16(3)27-21(30)13-26-23(32)20(14-33-24(4,5)6)28-22(31)19(25)12-17-7-9-18(29)10-8-17/h7-10,15-16,19-20,29H,11-14,25H2,1-6H3,(H,26,32)(H,27,30)(H,28,31)/t16?,19-,20+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/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))
BDBM50018709
PNG
(2-Amino-N-(2-tert-butoxy-1-{[(1,3-dimethyl-butylca...)
Show SMILES CC(C)CC(C)NC(=O)CNC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C24H40N4O5/c1-15(2)11-16(3)27-21(30)13-26-23(32)20(14-33-24(4,5)6)28-22(31)19(25)12-17-7-9-18(29)10-8-17/h7-10,15-16,19-20,29H,11-14,25H2,1-6H3,(H,26,32)(H,27,30)(H,28,31)/t16?,19-,20+/m0/s1
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
39n/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)
BDBM50018709
PNG
(2-Amino-N-(2-tert-butoxy-1-{[(1,3-dimethyl-butylca...)
Show SMILES CC(C)CC(C)NC(=O)CNC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C24H40N4O5/c1-15(2)11-16(3)27-21(30)13-26-23(32)20(14-33-24(4,5)6)28-22(31)19(25)12-17-7-9-18(29)10-8-17/h7-10,15-16,19-20,29H,11-14,25H2,1-6H3,(H,26,32)(H,27,30)(H,28,31)/t16?,19-,20+/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 111n/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