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BDBM50095742 3-{2-[2-({2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carbonyl}-amino)-3-phenyl-propionylamino]-3-phenyl-propionylamino}-succinamic acid::CHEMBL2370995

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

InChI Key: InChIKey=MHVVPKVBUITOOS-XSAMGBEENA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50095742   
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/kappa/delta


(Homo sapiens (Human))
BDBM50095742
PNG
(3-{2-[2-({2-[2-Amino-3-(4-hydroxy-phenyl)-propiony...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1/C32H35N5O7/c33-24(14-20-10-12-23(38)13-11-20)32(44)37-18-22-9-5-4-8-21(22)16-27(37)31(43)36-26(15-19-6-2-1-3-7-19)30(42)35-25(29(34)41)17-28(39)40/h1-13,24-27,38H,14-18,33H2,(H2,34,41)(H,35,42)(H,36,43)(H,39,40)/t24-,25-,26-,27-/s2
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
21n/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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50095742
PNG
(3-{2-[2-({2-[2-Amino-3-(4-hydroxy-phenyl)-propiony...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1/C32H35N5O7/c33-24(14-20-10-12-23(38)13-11-20)32(44)37-18-22-9-5-4-8-21(22)16-27(37)31(43)36-26(15-19-6-2-1-3-7-19)30(42)35-25(29(34)41)17-28(39)40/h1-13,24-27,38H,14-18,33H2,(H2,34,41)(H,35,42)(H,36,43)(H,39,40)/t24-,25-,26-,27-/s2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>4.50E+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