BindingDB logo
myBDB logout

BDBM50528965 CHEMBL4550234

SMILES: C[C@@H](N(C)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C(=C)C(N)=O)c1ccco1

InChI Key: InChIKey=RVZGUKSMLSUDCG-MFSRHCLSSA-N

Data: 1 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50528965   
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


(Homo sapiens (Human))
BDBM50528965
PNG
(CHEMBL4550234)
Show SMILES C[C@@H](N(C)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C32H39N5O6/c1-18-14-23(38)15-19(2)24(18)17-25(33)32(42)37(5)21(4)30(40)35-26(16-22-10-7-6-8-11-22)31(41)36-28(20(3)29(34)39)27-12-9-13-43-27/h6-15,21,25-26,28,38H,3,16-17,33H2,1-2,4-5H3,(H2,34,39)(H,35,40)(H,36,41)/t21-,25?,26+,28?/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0109n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation counting


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111701
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50528965
PNG
(CHEMBL4550234)
Show SMILES C[C@@H](N(C)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C32H39N5O6/c1-18-14-23(38)15-19(2)24(18)17-25(33)32(42)37(5)21(4)30(40)35-26(16-22-10-7-6-8-11-22)31(41)36-28(20(3)29(34)39)27-12-9-13-43-27/h6-15,21,25-26,28,38H,3,16-17,33H2,1-2,4-5H3,(H2,34,39)(H,35,40)(H,36,41)/t21-,25?,26+,28?/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.00177n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation counting


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111701
More data for this
Ligand-Target Pair