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BDBM50010533 2-{2-[2-(2-{2-[2-(2-{[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-methyl-amino}-acetylamino)-acetylamino]-3-phenyl-propionylamino}-4-methyl-pentanoylamino)-5-guanidino-pentanoylamino]-5-guanidino-pentanoylamino}-4-methyl-pentanoic acid amide::CHEMBL385736

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

InChI Key: InChIKey=FCCVEVGXEFJWGD-DUGSHLAESA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50010533   
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))
BDBM50010533
PNG
(2-{2-[2-(2-{2-[2-(2-{[2-Amino-3-(4-hydroxy-phenyl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-35(40(49)66)60-42(68)34(14-10-20-55-47(52)53)58-41(67)33(13-9-19-54-46(50)51)59-43(69)36(22-28(3)4)61-44(70)37(24-29-11-7-6-8-12-29)57-38(64)25-56-39(65)26-62(5)45(71)32(48)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,63H,9-10,13-14,19-26,48H2,1-5H3,(H2,49,66)(H,56,65)(H,57,64)(H,58,67)(H,59,69)(H,60,68)(H,61,70)(H4,50,51,54)(H4,52,53,55)/t32-,33-,34-,35-,36-,37-/m0/s1
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Article
PubMed
n/an/a 738n/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)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50010533
PNG
(2-{2-[2-(2-{2-[2-(2-{[2-Amino-3-(4-hydroxy-phenyl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-35(40(49)66)60-42(68)34(14-10-20-55-47(52)53)58-41(67)33(13-9-19-54-46(50)51)59-43(69)36(22-28(3)4)61-44(70)37(24-29-11-7-6-8-12-29)57-38(64)25-56-39(65)26-62(5)45(71)32(48)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,63H,9-10,13-14,19-26,48H2,1-5H3,(H2,49,66)(H,56,65)(H,57,64)(H,58,67)(H,59,69)(H,60,68)(H,61,70)(H4,50,51,54)(H4,52,53,55)/t32-,33-,34-,35-,36-,37-/m0/s1
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Article
PubMed
n/an/a 897n/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)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50010533
PNG
(2-{2-[2-(2-{2-[2-(2-{[2-Amino-3-(4-hydroxy-phenyl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-35(40(49)66)60-42(68)34(14-10-20-55-47(52)53)58-41(67)33(13-9-19-54-46(50)51)59-43(69)36(22-28(3)4)61-44(70)37(24-29-11-7-6-8-12-29)57-38(64)25-56-39(65)26-62(5)45(71)32(48)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,63H,9-10,13-14,19-26,48H2,1-5H3,(H2,49,66)(H,56,65)(H,57,64)(H,58,67)(H,59,69)(H,60,68)(H,61,70)(H4,50,51,54)(H4,52,53,55)/t32-,33-,34-,35-,36-,37-/m0/s1
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n/an/a 1.77E+3n/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)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair