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BDBM50016459 2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-4-carbamoyl-butyrylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid::CHEMBL294134

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

InChI Key: InChIKey=ADRDWKBFXHXFGK-QORCZRPOSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50016459   
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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50016459
PNG
(2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C31H42N6O8/c1-18(2)14-25(31(44)45)37-30(43)24(16-19-6-4-3-5-7-19)35-27(40)17-34-29(42)23(12-13-26(33)39)36-28(41)22(32)15-20-8-10-21(38)11-9-20/h3-11,18,22-25,38H,12-17,32H2,1-2H3,(H2,33,39)(H,34,42)(H,35,40)(H,36,41)(H,37,43)(H,44,45)/t22-,23-,24-,25-/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
22n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity of Opioid receptor mu 1 mu 1 by the displacement of mu-selective [3H]DAGO from brain membrane preparations.


J Med Chem 30: 1991-4 (1987)


Article DOI: 10.1021/jm00394a010
BindingDB Entry DOI: 10.7270/Q24T6JZK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50016459
PNG
(2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C31H42N6O8/c1-18(2)14-25(31(44)45)37-30(43)24(16-19-6-4-3-5-7-19)35-27(40)17-34-29(42)23(12-13-26(33)39)36-28(41)22(32)15-20-8-10-21(38)11-9-20/h3-11,18,22-25,38H,12-17,32H2,1-2H3,(H2,33,39)(H,34,42)(H,35,40)(H,36,41)(H,37,43)(H,44,45)/t22-,23-,24-,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
47n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity of Opioid receptor delta 1 by the displacement of delta-selective [3H]DSLET from brain membrane preparations.


J Med Chem 30: 1991-4 (1987)


Article DOI: 10.1021/jm00394a010
BindingDB Entry DOI: 10.7270/Q24T6JZK
More data for this
Ligand-Target Pair