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BDBM50023923 CHEMBL2370989

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCC(O)=O)C(N)=O

InChI Key: InChIKey=AHIVOEZAMQCBPM-YNOSRJHOSA-N

Data: 2 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 2 hits for monomerid = 50023923   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50023923
PNG
(CHEMBL2370989)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C42H46N6O8/c43-32(21-28-15-17-31(49)18-16-28)42(56)48-25-30-14-8-7-13-29(30)24-36(48)41(55)47-35(23-27-11-5-2-6-12-27)40(54)46-34(22-26-9-3-1-4-10-26)39(53)45-33(38(44)52)19-20-37(50)51/h1-18,32-36,49H,19-25,43H2,(H2,44,52)(H,45,53)(H,46,54)(H,47,55)(H,50,51)/t32-,33+,34-,35-,36-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.80n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Affinity towards human Opioid receptor delta 1 on CHO cell membranes using [3H]DPDPE displacement.


J Med Chem 43: 5050-4 (2001)


Article DOI: 10.1021/jm000362h
BindingDB Entry DOI: 10.7270/Q20P0Z8P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50023923
PNG
(CHEMBL2370989)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C42H46N6O8/c43-32(21-28-15-17-31(49)18-16-28)42(56)48-25-30-14-8-7-13-29(30)24-36(48)41(55)47-35(23-27-11-5-2-6-12-27)40(54)46-34(22-26-9-3-1-4-10-26)39(53)45-33(38(44)52)19-20-37(50)51/h1-18,32-36,49H,19-25,43H2,(H2,44,52)(H,45,53)(H,46,54)(H,47,55)(H,50,51)/t32-,33+,34-,35-,36-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.95E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Affinity towards human Opioid receptor mu 1 on CHO cell membranes using [3H]DAMGO displacement.


J Med Chem 43: 5050-4 (2001)


Article DOI: 10.1021/jm000362h
BindingDB Entry DOI: 10.7270/Q20P0Z8P
More data for this
Ligand-Target Pair