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BDBM50031573 CHEMBL2369870::[D-Asp2,Dab(Tmg)5]Dyn A-(1-13)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]-[#7]=[#6](-[#7](-[#6])-[#6])-[#7](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O

InChI Key: InChIKey=HSJUIWRUQLXYPS-ZKMIQVDASA-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 = 50031573   
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


(Cavia porcellus (domestic guinea pig))
BDBM50031573
PNG
(CHEMBL2369870 | [D-Asp2,Dab(Tmg)5]Dyn A-(1-13)NH2)
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]-[#7]=[#6](-[#7](-[#6])-[#6])-[#7](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C80H136N28O16/c1-9-47(4)64(75(123)102-57(27-19-38-93-79(89)90)76(124)108-40-20-28-61(108)74(122)101-53(24-14-16-35-82)69(117)104-58(41-46(2)3)72(120)97-52(65(84)113)23-13-15-34-81)105-71(119)55(26-18-37-92-78(87)88)99-68(116)54(25-17-36-91-77(85)86)98-70(118)56(33-39-94-80(106(5)6)107(7)8)100-73(121)59(43-48-21-11-10-12-22-48)96-62(110)45-95-67(115)60(44-63(111)112)103-66(114)51(83)42-49-29-31-50(109)32-30-49/h10-12,21-22,29-32,46-47,51-61,64,109H,9,13-20,23-28,33-45,81-83H2,1-8H3,(H2,84,113)(H,95,115)(H,96,110)(H,97,120)(H,98,118)(H,99,116)(H,100,121)(H,101,122)(H,102,123)(H,103,114)(H,104,117)(H,105,119)(H,111,112)(H4,85,86,91)(H4,87,88,92)(H4,89,90,93)/t47-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60+,61-,64-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.140n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against Opioid receptor kappa 1 of guinea pig cerebellum using [3H]-bremazocine as the radioligand using ...


J Med Chem 38: 2410-7 (1995)


BindingDB Entry DOI: 10.7270/Q2CV4GS8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50031573
PNG
(CHEMBL2369870 | [D-Asp2,Dab(Tmg)5]Dyn A-(1-13)NH2)
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]-[#7]=[#6](-[#7](-[#6])-[#6])-[#7](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C80H136N28O16/c1-9-47(4)64(75(123)102-57(27-19-38-93-79(89)90)76(124)108-40-20-28-61(108)74(122)101-53(24-14-16-35-82)69(117)104-58(41-46(2)3)72(120)97-52(65(84)113)23-13-15-34-81)105-71(119)55(26-18-37-92-78(87)88)99-68(116)54(25-17-36-91-77(85)86)98-70(118)56(33-39-94-80(106(5)6)107(7)8)100-73(121)59(43-48-21-11-10-12-22-48)96-62(110)45-95-67(115)60(44-63(111)112)103-66(114)51(83)42-49-29-31-50(109)32-30-49/h10-12,21-22,29-32,46-47,51-61,64,109H,9,13-20,23-28,33-45,81-83H2,1-8H3,(H2,84,113)(H,95,115)(H,96,110)(H,97,120)(H,98,118)(H,99,116)(H,100,121)(H,101,122)(H,102,123)(H,103,114)(H,104,117)(H,105,119)(H,111,112)(H4,85,86,91)(H4,87,88,92)(H4,89,90,93)/t47-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60+,61-,64-/m0/s1
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UniProtKB/SwissProt

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PC sid
UniChem

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PubMed
0.320n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against Opioid receptor mu 1 of rat forebrain using [3H]-DAMGO as the radioligand using competition bindi...


J Med Chem 38: 2410-7 (1995)


BindingDB Entry DOI: 10.7270/Q2CV4GS8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50031573
PNG
(CHEMBL2369870 | [D-Asp2,Dab(Tmg)5]Dyn A-(1-13)NH2)
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]-[#7]=[#6](-[#7](-[#6])-[#6])-[#7](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C80H136N28O16/c1-9-47(4)64(75(123)102-57(27-19-38-93-79(89)90)76(124)108-40-20-28-61(108)74(122)101-53(24-14-16-35-82)69(117)104-58(41-46(2)3)72(120)97-52(65(84)113)23-13-15-34-81)105-71(119)55(26-18-37-92-78(87)88)99-68(116)54(25-17-36-91-77(85)86)98-70(118)56(33-39-94-80(106(5)6)107(7)8)100-73(121)59(43-48-21-11-10-12-22-48)96-62(110)45-95-67(115)60(44-63(111)112)103-66(114)51(83)42-49-29-31-50(109)32-30-49/h10-12,21-22,29-32,46-47,51-61,64,109H,9,13-20,23-28,33-45,81-83H2,1-8H3,(H2,84,113)(H,95,115)(H,96,110)(H,97,120)(H,98,118)(H,99,116)(H,100,121)(H,101,122)(H,102,123)(H,103,114)(H,104,117)(H,105,119)(H,111,112)(H4,85,86,91)(H4,87,88,92)(H4,89,90,93)/t47-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60+,61-,64-/m0/s1
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UniProtKB/SwissProt

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UniChem

Similars

PubMed
7.52n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against delta opioid receptor of rat forebrain using [3H]-DPDPE as the radioligand using competition bind...


J Med Chem 38: 2410-7 (1995)


BindingDB Entry DOI: 10.7270/Q2CV4GS8
More data for this
Ligand-Target Pair