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SMILES: C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=XXRNJURWPRKJED-DTTHLSSUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50073522   
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
Mu-type opioid receptor


(MOUSE)
BDBM50073522
PNG
(2-({1-[2-(2-{2-[2-(2-Amino-2-(4-hydroxy-phenyl)-ac...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C46H59N7O16/c1-24(49-41(62)30(47)18-26-9-13-28(55)14-10-26)40(61)51-31(19-25-6-3-2-4-7-25)42(63)48-21-36(57)50-32(20-27-11-15-29(56)16-12-27)44(65)53-17-5-8-34(53)43(64)52-33(22-54)45(66)68-23-35-37(58)38(59)39(60)46(67)69-35/h2-4,6-7,9-16,24,30-35,37-39,46,54-56,58-60,67H,5,8,17-23,47H2,1H3,(H,48,63)(H,49,62)(H,50,57)(H,51,61)(H,52,64)/t24-,30+,31+,32+,33+,34+,35-,37-,38+,39-,46+/m1/s1
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.40n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from Opioid receptor mu 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50073522
PNG
(2-({1-[2-(2-{2-[2-(2-Amino-2-(4-hydroxy-phenyl)-ac...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C46H59N7O16/c1-24(49-41(62)30(47)18-26-9-13-28(55)14-10-26)40(61)51-31(19-25-6-3-2-4-7-25)42(63)48-21-36(57)50-32(20-27-11-15-29(56)16-12-27)44(65)53-17-5-8-34(53)43(64)52-33(22-54)45(66)68-23-35-37(58)38(59)39(60)46(67)69-35/h2-4,6-7,9-16,24,30-35,37-39,46,54-56,58-60,67H,5,8,17-23,47H2,1H3,(H,48,63)(H,49,62)(H,50,57)(H,51,61)(H,52,64)/t24-,30+,31+,32+,33+,34+,35-,37-,38+,39-,46+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.25E+3n/an/an/an/an/an/an/an/a



University "La Sapienza" of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]-NLT from Opioid receptor delta 1 of adult male mouse brain.


J Med Chem 42: 400-4 (1999)


Article DOI: 10.1021/jm9810699
BindingDB Entry DOI: 10.7270/Q2KD1X2G
More data for this
Ligand-Target Pair