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BDBM50000506 3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-3-(3H-imidazol-4-yl)-propionylamino]-4-methyl-pentanoylamino}-4-methylsulfanyl-butyrylamino)-succinamic acid::CHEMBL20956

SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(N)=O

InChI Key: InChIKey=UTZUXRKYGNWFEH-CHEANQQOSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50000506   
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))
BDBM50000506
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C42H58N10O10S/c1-23(2)16-32(40(60)48-30(14-15-63-4)39(59)49-31(36(44)56)20-35(54)55)51-42(62)34(19-27-21-45-22-46-27)52-41(61)33(18-25-8-6-5-7-9-25)50-37(57)24(3)47-38(58)29(43)17-26-10-12-28(53)13-11-26/h5-13,21-24,29-34,53H,14-20,43H2,1-4H3,(H2,44,56)(H,45,46)(H,47,58)(H,48,60)(H,49,59)(H,50,57)(H,51,62)(H,52,61)(H,54,55)/t24-,29+,30+,31+,32+,33+,34+/m1/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.360n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against opioid receptor delta using [3H]-DPDPE as radioligand.


J Med Chem 35: 1222-7 (1992)


Article DOI: 10.1021/jm00085a009
BindingDB Entry DOI: 10.7270/Q29P30K2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000506
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C42H58N10O10S/c1-23(2)16-32(40(60)48-30(14-15-63-4)39(59)49-31(36(44)56)20-35(54)55)51-42(62)34(19-27-21-45-22-46-27)52-41(61)33(18-25-8-6-5-7-9-25)50-37(57)24(3)47-38(58)29(43)17-26-10-12-28(53)13-11-26/h5-13,21-24,29-34,53H,14-20,43H2,1-4H3,(H2,44,56)(H,45,46)(H,47,58)(H,48,60)(H,49,59)(H,50,57)(H,51,62)(H,52,61)(H,54,55)/t24-,29+,30+,31+,32+,33+,34+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
44n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against opioid receptor mu using [3H]-DAGO as radioligand.


J Med Chem 35: 1222-7 (1992)


Article DOI: 10.1021/jm00085a009
BindingDB Entry DOI: 10.7270/Q29P30K2
More data for this
Ligand-Target Pair