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SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)NNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O

InChI Key: InChIKey=YGFUILXJHYIEQF-ODEHXSTASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50018710   
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


(Rattus norvegicus (rat))
BDBM50018710
PNG
(2-(1-{1-[1-amino-2-(4-hydroxyphenyl)ethylcarboxami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)NNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C31H43N7O9/c1-17(2)13-23(29(44)36-26(18(3)39)30(45)46)35-28(43)24(15-19-7-5-4-6-8-19)34-25(41)16-33-31(47)38-37-27(42)22(32)14-20-9-11-21(40)12-10-20/h4-12,17-18,22-24,26,39-40H,13-16,32H2,1-3H3,(H,34,41)(H,35,43)(H,36,44)(H,37,42)(H,45,46)(H2,33,38,47)/t18-,22+,23+,24+,26+/m1/s1
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
395n/an/an/an/an/an/an/an/a



INSERM

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)


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


(Rattus norvegicus (rat))
BDBM50018710
PNG
(2-(1-{1-[1-amino-2-(4-hydroxyphenyl)ethylcarboxami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)NNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C31H43N7O9/c1-17(2)13-23(29(44)36-26(18(3)39)30(45)46)35-28(43)24(15-19-7-5-4-6-8-19)34-25(41)16-33-31(47)38-37-27(42)22(32)14-20-9-11-21(40)12-10-20/h4-12,17-18,22-24,26,39-40H,13-16,32H2,1-3H3,(H,34,41)(H,35,43)(H,36,44)(H,37,42)(H,45,46)(H2,33,38,47)/t18-,22+,23+,24+,26+/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
9.79E+3n/an/an/an/an/an/an/an/a



INSERM

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)


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


(GUINEA PIG)
BDBM50018710
PNG
(2-(1-{1-[1-amino-2-(4-hydroxyphenyl)ethylcarboxami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)NNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C31H43N7O9/c1-17(2)13-23(29(44)36-26(18(3)39)30(45)46)35-28(43)24(15-19-7-5-4-6-8-19)34-25(41)16-33-31(47)38-37-27(42)22(32)14-20-9-11-21(40)12-10-20/h4-12,17-18,22-24,26,39-40H,13-16,32H2,1-3H3,(H,34,41)(H,35,43)(H,36,44)(H,37,42)(H,45,46)(H2,33,38,47)/t18-,22+,23+,24+,26+/m1/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



INSERM

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)


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