BindingDB logo
myBDB logout

BDBM50299558 CHEMBL583488::H-4'-carboxamido-2',6'-dimethylphenylalanine-Tic-Phe-Phe-OH

SMILES: Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O

InChI Key: InChIKey=NMSIZUSNGCYUNV-WRLGPLRNNA-N

Data: 3 KI

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 3 hits for monomerid = 50299558   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50299558
PNG
(CHEMBL583488 | H-4'-carboxamido-2',6'-dimethylphen...)
Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O
Show InChI InChI=1/C40H43N5O6/c1-24-17-30(36(42)46)18-25(2)31(24)22-32(41)39(49)45-23-29-16-10-9-15-28(29)21-35(45)38(48)43-33(19-26-11-5-3-6-12-26)37(47)44-34(40(50)51)20-27-13-7-4-8-14-27/h3-18,32-35H,19-23,41H2,1-2H3,(H2,42,46)(H,43,48)(H,44,47)(H,50,51)/t32-,33-,34-,35-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.501n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50299558
PNG
(CHEMBL583488 | H-4'-carboxamido-2',6'-dimethylphen...)
Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O
Show InChI InChI=1/C40H43N5O6/c1-24-17-30(36(42)46)18-25(2)31(24)22-32(41)39(49)45-23-29-16-10-9-15-28(29)21-35(45)38(48)43-33(19-26-11-5-3-6-12-26)37(47)44-34(40(50)51)20-27-13-7-4-8-14-27/h3-18,32-35H,19-23,41H2,1-2H3,(H2,42,46)(H,43,48)(H,44,47)(H,50,51)/t32-,33-,34-,35-/s2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]U69-593 from kappa opioid receptor in guinea pig brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50299558
PNG
(CHEMBL583488 | H-4'-carboxamido-2',6'-dimethylphen...)
Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O
Show InChI InChI=1/C40H43N5O6/c1-24-17-30(36(42)46)18-25(2)31(24)22-32(41)39(49)45-23-29-16-10-9-15-28(29)21-35(45)38(48)43-33(19-26-11-5-3-6-12-26)37(47)44-34(40(50)51)20-27-13-7-4-8-14-27/h3-18,32-35H,19-23,41H2,1-2H3,(H2,42,46)(H,43,48)(H,44,47)(H,50,51)/t32-,33-,34-,35-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.21E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


J Med Chem 52: 6941-5 (2009)


Article DOI: 10.1021/jm9004913
BindingDB Entry DOI: 10.7270/Q2S182KK
More data for this
Ligand-Target Pair