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BDBM50274740 CHEMBL4128463

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccsc1)C(=O)NCC(N)=O

InChI Key: InChIKey=HOIGUNVLVQRZOW-VJGNERBWSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50274740   
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)
BDBM50274740
PNG
(CHEMBL4128463)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccsc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C32H42N8O5S/c1-18-12-23(41)13-19(2)24(18)15-25(33)29(43)39-26(4-3-10-37-32(35)36)31(45)40-27(30(44)38-16-28(34)42)14-20-5-7-21(8-6-20)22-9-11-46-17-22/h5-9,11-13,17,25-27,41H,3-4,10,14-16,33H2,1-2H3,(H2,34,42)(H,38,44)(H,39,43)(H,40,45)(H4,35,36,37)/t25-,26+,27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50274740
PNG
(CHEMBL4128463)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccsc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C32H42N8O5S/c1-18-12-23(41)13-19(2)24(18)15-25(33)29(43)39-26(4-3-10-37-32(35)36)31(45)40-27(30(44)38-16-28(34)42)14-20-5-7-21(8-6-20)22-9-11-46-17-22/h5-9,11-13,17,25-27,41H,3-4,10,14-16,33H2,1-2H3,(H2,34,42)(H,38,44)(H,39,43)(H,40,45)(H4,35,36,37)/t25-,26+,27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 309n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-Deltorphin 2 from mouse Flag-tagged delta-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair