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BDBM50128087 CHEMBL2369395::Tyr-Gly-Pro-Phe-Leu-Arg-Arg-Ile-Arg-Pro-NH2

SMILES: [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O

InChI Key: InChIKey=AUNGKQSALROPBD-ORCFBCOBSA-N

Data: 3 KI

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 = 50128087   
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))
BDBM50128087
PNG
(CHEMBL2369395 | Tyr-Gly-Pro-Phe-Leu-Arg-Arg-Ile-Ar...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C60H96N20O11/c1-5-35(4)48(56(90)75-42(18-11-27-71-60(67)68)57(91)80-29-12-19-45(80)49(62)83)78-52(86)41(17-10-26-70-59(65)66)73-51(85)40(16-9-25-69-58(63)64)74-53(87)43(30-34(2)3)76-54(88)44(32-36-14-7-6-8-15-36)77-55(89)46-20-13-28-79(46)47(82)33-72-50(84)39(61)31-37-21-23-38(81)24-22-37/h6-8,14-15,21-24,34-35,39-46,48,81H,5,9-13,16-20,25-33,61H2,1-4H3,(H2,62,83)(H,72,84)(H,73,85)(H,74,87)(H,75,90)(H,76,88)(H,77,89)(H,78,86)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t35-,39-,40-,41-,42-,43-,44-,45+,46?,48-/m0/s1
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79n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Opioid receptor kappa 1 on CHO cell membranes using [3H]diprenorphine displacement.


J Med Chem 46: 2104-9 (2003)


Article DOI: 10.1021/jm020125+
BindingDB Entry DOI: 10.7270/Q2NZ88CF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50128087
PNG
(CHEMBL2369395 | Tyr-Gly-Pro-Phe-Leu-Arg-Arg-Ile-Ar...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C60H96N20O11/c1-5-35(4)48(56(90)75-42(18-11-27-71-60(67)68)57(91)80-29-12-19-45(80)49(62)83)78-52(86)41(17-10-26-70-59(65)66)73-51(85)40(16-9-25-69-58(63)64)74-53(87)43(30-34(2)3)76-54(88)44(32-36-14-7-6-8-15-36)77-55(89)46-20-13-28-79(46)47(82)33-72-50(84)39(61)31-37-21-23-38(81)24-22-37/h6-8,14-15,21-24,34-35,39-46,48,81H,5,9-13,16-20,25-33,61H2,1-4H3,(H2,62,83)(H,72,84)(H,73,85)(H,74,87)(H,75,90)(H,76,88)(H,77,89)(H,78,86)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t35-,39-,40-,41-,42-,43-,44-,45+,46?,48-/m0/s1
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1.62E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro binding affinity to human Opioid receptor mu 1 on CHO cell membranes using [3H]diprenorphine displacement.


J Med Chem 46: 2104-9 (2003)


Article DOI: 10.1021/jm020125+
BindingDB Entry DOI: 10.7270/Q2NZ88CF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50128087
PNG
(CHEMBL2369395 | Tyr-Gly-Pro-Phe-Leu-Arg-Arg-Ile-Ar...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C60H96N20O11/c1-5-35(4)48(56(90)75-42(18-11-27-71-60(67)68)57(91)80-29-12-19-45(80)49(62)83)78-52(86)41(17-10-26-70-59(65)66)73-51(85)40(16-9-25-69-58(63)64)74-53(87)43(30-34(2)3)76-54(88)44(32-36-14-7-6-8-15-36)77-55(89)46-20-13-28-79(46)47(82)33-72-50(84)39(61)31-37-21-23-38(81)24-22-37/h6-8,14-15,21-24,34-35,39-46,48,81H,5,9-13,16-20,25-33,61H2,1-4H3,(H2,62,83)(H,72,84)(H,73,85)(H,74,87)(H,75,90)(H,76,88)(H,77,89)(H,78,86)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t35-,39-,40-,41-,42-,43-,44-,45+,46?,48-/m0/s1
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UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.62E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro binding affinity to human Opioid receptor delta 1 on CHO cell membranes using [3H]diprenorphine displacement.


J Med Chem 46: 2104-9 (2003)


Article DOI: 10.1021/jm020125+
BindingDB Entry DOI: 10.7270/Q2NZ88CF
More data for this
Ligand-Target Pair