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BDBM50010539 CHEMBL406034::MeTyr-Gly-Azgly-Phe-Leu-Arg-Arg-D-Leu-NH2

SMILES: CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NNC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O

InChI Key: InChIKey=RQXXCFZBIBPJMF-NGTAMTFRSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50010539   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50010539
PNG
(CHEMBL406034 | MeTyr-Gly-Azgly-Phe-Leu-Arg-Arg-D-L...)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NNC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C46H74N16O9/c1-26(2)21-33(38(47)65)58-41(68)32(14-10-20-54-45(50)51)56-40(67)31(13-9-19-53-44(48)49)57-42(69)35(22-27(3)4)59-43(70)36(24-28-11-7-6-8-12-28)60-46(71)62-61-37(64)25-55-39(66)34(52-5)23-29-15-17-30(63)18-16-29/h6-8,11-12,15-18,26-27,31-36,52,63H,9-10,13-14,19-25H2,1-5H3,(H2,47,65)(H,55,66)(H,56,67)(H,57,69)(H,58,68)(H,59,70)(H,61,64)(H4,48,49,53)(H4,50,51,54)(H2,60,62,71)/t31-,32-,33-,34-,35-,36-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 152n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD)


J Med Chem 33: 206-12 (1990)


BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50010539
PNG
(CHEMBL406034 | MeTyr-Gly-Azgly-Phe-Leu-Arg-Arg-D-L...)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NNC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C46H74N16O9/c1-26(2)21-33(38(47)65)58-41(68)32(14-10-20-54-45(50)51)56-40(67)31(13-9-19-53-44(48)49)57-42(69)35(22-27(3)4)59-43(70)36(24-28-11-7-6-8-12-28)60-46(71)62-61-37(64)25-55-39(66)34(52-5)23-29-15-17-30(63)18-16-29/h6-8,11-12,15-18,26-27,31-36,52,63H,9-10,13-14,19-25H2,1-5H3,(H2,47,65)(H,55,66)(H,56,67)(H,57,69)(H,58,68)(H,59,70)(H,61,64)(H4,48,49,53)(H4,50,51,54)(H2,60,62,71)/t31-,32-,33-,34-,35-,36-/m0/s1
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem
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n/an/a 62n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD).


J Med Chem 33: 206-12 (1990)


BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50010539
PNG
(CHEMBL406034 | MeTyr-Gly-Azgly-Phe-Leu-Arg-Arg-D-L...)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NNC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C46H74N16O9/c1-26(2)21-33(38(47)65)58-41(68)32(14-10-20-54-45(50)51)56-40(67)31(13-9-19-53-44(48)49)57-42(69)35(22-27(3)4)59-43(70)36(24-28-11-7-6-8-12-28)60-46(71)62-61-37(64)25-55-39(66)34(52-5)23-29-15-17-30(63)18-16-29/h6-8,11-12,15-18,26-27,31-36,52,63H,9-10,13-14,19-25H2,1-5H3,(H2,47,65)(H,55,66)(H,56,67)(H,57,69)(H,58,68)(H,59,70)(H,61,64)(H4,48,49,53)(H4,50,51,54)(H2,60,62,71)/t31-,32-,33-,34-,35-,36-/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 19n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI)


J Med Chem 33: 206-12 (1990)


BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair