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BDBM50133264 CHEMBL133719::[(2S,3S)-TMT1]DPDPE

SMILES: C[C@H]([C@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C

InChI Key: InChIKey=FKKHZZDLSPFFPR-IFBOTDGJSA-N

Data: 2 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50133264   
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)
BDBM50133264
PNG
(CHEMBL133719 | [(2S,3S)-TMT1]DPDPE)
Show SMILES C[C@H]([C@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H47N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26(32(4,5)46)30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47/h8-14,19,22,25-27,39,46-47H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22-,25-,26+,27+/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 290n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro bioassay data to determine the effective concentration required for antagonistic activity against Opioid receptor mu 1 in functional assay,G...


J Med Chem 46: 4215-31 (2003)


Article DOI: 10.1021/jm0303103
BindingDB Entry DOI: 10.7270/Q2JW8FM1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50133264
PNG
(CHEMBL133719 | [(2S,3S)-TMT1]DPDPE)
Show SMILES C[C@H]([C@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H47N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26(32(4,5)46)30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47/h8-14,19,22,25-27,39,46-47H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22-,25-,26+,27+/m0/s1
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GoogleScholar
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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 170n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro bioassay data to determine the effective concentration required for antagonistic activity against Opioid receptor delta 1 in functional assa...


J Med Chem 46: 4215-31 (2003)


Article DOI: 10.1021/jm0303103
BindingDB Entry DOI: 10.7270/Q2JW8FM1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50133264
PNG
(CHEMBL133719 | [(2S,3S)-TMT1]DPDPE)
Show SMILES C[C@H]([C@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H47N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26(32(4,5)46)30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47/h8-14,19,22,25-27,39,46-47H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22-,25-,26+,27+/m0/s1
PDB

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Article
PubMed
n/an/a 720n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 using [3H]- CTOP as radioligand


J Med Chem 46: 4215-31 (2003)


Article DOI: 10.1021/jm0303103
BindingDB Entry DOI: 10.7270/Q2JW8FM1
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50133264
PNG
(CHEMBL133719 | [(2S,3S)-TMT1]DPDPE)
Show SMILES C[C@H]([C@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H47N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26(32(4,5)46)30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47/h8-14,19,22,25-27,39,46-47H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22-,25-,26+,27+/m0/s1
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 210n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 using [3H]- [p-CIPhe4] DPDPE as radioligand


J Med Chem 46: 4215-31 (2003)


Article DOI: 10.1021/jm0303103
BindingDB Entry DOI: 10.7270/Q2JW8FM1
More data for this
Ligand-Target Pair