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BDBM50019055 2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3-hydroxy-butyrylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoylamino}-3-hydroxy-butyric acid::CHEMBL55734

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O

InChI Key: InChIKey=WJEFCEUSQYDJIF-ZIAYIUNKSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50019055   
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))
BDBM50019055
PNG
(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C34H48N6O10/c1-18(2)14-25(32(47)40-29(20(4)42)34(49)50)38-31(46)26(16-21-8-6-5-7-9-21)37-27(44)17-36-33(48)28(19(3)41)39-30(45)24(35)15-22-10-12-23(43)13-11-22/h5-13,18-20,24-26,28-29,41-43H,14-17,35H2,1-4H3,(H,36,48)(H,37,44)(H,38,46)(H,39,45)(H,40,47)(H,49,50)/t19-,20-,24+,25+,26+,28+,29+/m1/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40n/an/an/an/an/an/an/an/a



UA 498 CNRS

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DTLET binding torat brain membrane Opioid receptor delta 1


J Med Chem 31: 1891-7 (1988)


Article DOI: 10.1021/jm00118a005
BindingDB Entry DOI: 10.7270/Q2GB231V
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50019055
PNG
(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C34H48N6O10/c1-18(2)14-25(32(47)40-29(20(4)42)34(49)50)38-31(46)26(16-21-8-6-5-7-9-21)37-27(44)17-36-33(48)28(19(3)41)39-30(45)24(35)15-22-10-12-23(43)13-11-22/h5-13,18-20,24-26,28-29,41-43H,14-17,35H2,1-4H3,(H,36,48)(H,37,44)(H,38,46)(H,39,45)(H,40,47)(H,49,50)/t19-,20-,24+,25+,26+,28+,29+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
23n/an/an/an/an/an/an/an/a



UA 498 CNRS

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAGO binding to rat brain membrane Opioid receptor mu 1


J Med Chem 31: 1891-7 (1988)


Article DOI: 10.1021/jm00118a005
BindingDB Entry DOI: 10.7270/Q2GB231V
More data for this
Ligand-Target Pair