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BDBM50042761 CHEMBL340909::H-Tyr-D-Ala-Phg-Asp-Val-Val-Gly-NH2

SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1)C(C)C)C(=O)NCC(N)=O

InChI Key: InChIKey=KBGUFGVECJWCMH-VLQQNCFDSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50042761   
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))
BDBM50042761
PNG
(CHEMBL340909 | H-Tyr-D-Ala-Phg-Asp-Val-Val-Gly-NH2)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C36H50N8O10/c1-18(2)28(34(52)39-17-26(38)46)43-35(53)29(19(3)4)42-33(51)25(16-27(47)48)41-36(54)30(22-9-7-6-8-10-22)44-31(49)20(5)40-32(50)24(37)15-21-11-13-23(45)14-12-21/h6-14,18-20,24-25,28-30,45H,15-17,37H2,1-5H3,(H2,38,46)(H,39,52)(H,40,50)(H,41,54)(H,42,51)(H,43,53)(H,44,49)(H,47,48)/t20-,24+,25+,28+,29+,30+/m1/s1
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PC cid
PC sid
UniChem

Similars

PubMed
2.90n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity was determined on delta [3H]-DPDPE site in rat brain synaptosomes by radioreceptor assay


J Med Chem 36: 3748-56 (1994)


BindingDB Entry DOI: 10.7270/Q2D799HM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50042761
PNG
(CHEMBL340909 | H-Tyr-D-Ala-Phg-Asp-Val-Val-Gly-NH2)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C36H50N8O10/c1-18(2)28(34(52)39-17-26(38)46)43-35(53)29(19(3)4)42-33(51)25(16-27(47)48)41-36(54)30(22-9-7-6-8-10-22)44-31(49)20(5)40-32(50)24(37)15-21-11-13-23(45)14-12-21/h6-14,18-20,24-25,28-30,45H,15-17,37H2,1-5H3,(H2,38,46)(H,39,52)(H,40,50)(H,41,54)(H,42,51)(H,43,53)(H,44,49)(H,47,48)/t20-,24+,25+,28+,29+,30+/m1/s1
PDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.75E+3n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity was determined on mu [3H]-DAGO site in rat brain synaptosomes by radioreceptor assay


J Med Chem 36: 3748-56 (1994)


BindingDB Entry DOI: 10.7270/Q2D799HM
More data for this
Ligand-Target Pair