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BDBM50031570 CHEMBL2369885::[D-Asp2,Dap(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]\[#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=SPTKZYVHTFWYEY-ZCJMTQNFSA-N

Data: 3 KI

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 3 hits for monomerid = 50031570   
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


(Rattus norvegicus (rat))
BDBM50031570
PNG
(CHEMBL2369885 | [D-Asp2,Dap(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]\[#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/C79H134N28O16/c1-9-46(4)63(74(122)100-55(27-19-37-92-78(88)89)75(123)107-38-20-28-60(107)73(121)99-52(24-14-16-34-81)68(116)102-56(39-45(2)3)70(118)96-51(64(83)112)23-13-15-33-80)104-69(117)54(26-18-36-91-77(86)87)97-67(115)53(25-17-35-90-76(84)85)98-72(120)59(43-94-79(105(5)6)106(7)8)103-71(119)57(41-47-21-11-10-12-22-47)95-61(109)44-93-66(114)58(42-62(110)111)101-65(113)50(82)40-48-29-31-49(108)32-30-48/h10-12,21-22,29-32,45-46,50-60,63,108H,9,13-20,23-28,33-44,80-82H2,1-8H3,(H2,83,112)(H,93,114)(H,95,109)(H,96,118)(H,97,115)(H,98,120)(H,99,121)(H,100,122)(H,101,113)(H,102,116)(H,103,119)(H,104,117)(H,110,111)(H4,84,85,90)(H4,86,87,91)(H4,88,89,92)/t46-,50-,51-,52-,53-,54-,55-,56-,57-,58+,59-,60-,63-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.160n/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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50031570
PNG
(CHEMBL2369885 | [D-Asp2,Dap(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]\[#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/C79H134N28O16/c1-9-46(4)63(74(122)100-55(27-19-37-92-78(88)89)75(123)107-38-20-28-60(107)73(121)99-52(24-14-16-34-81)68(116)102-56(39-45(2)3)70(118)96-51(64(83)112)23-13-15-33-80)104-69(117)54(26-18-36-91-77(86)87)97-67(115)53(25-17-35-90-76(84)85)98-72(120)59(43-94-79(105(5)6)106(7)8)103-71(119)57(41-47-21-11-10-12-22-47)95-61(109)44-93-66(114)58(42-62(110)111)101-65(113)50(82)40-48-29-31-49(108)32-30-48/h10-12,21-22,29-32,45-46,50-60,63,108H,9,13-20,23-28,33-44,80-82H2,1-8H3,(H2,83,112)(H,93,114)(H,95,109)(H,96,118)(H,97,115)(H,98,120)(H,99,121)(H,100,122)(H,101,113)(H,102,116)(H,103,119)(H,104,117)(H,110,111)(H4,84,85,90)(H4,86,87,91)(H4,88,89,92)/t46-,50-,51-,52-,53-,54-,55-,56-,57-,58+,59-,60-,63-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.210n/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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50031570
PNG
(CHEMBL2369885 | [D-Asp2,Dap(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]\[#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/C79H134N28O16/c1-9-46(4)63(74(122)100-55(27-19-37-92-78(88)89)75(123)107-38-20-28-60(107)73(121)99-52(24-14-16-34-81)68(116)102-56(39-45(2)3)70(118)96-51(64(83)112)23-13-15-33-80)104-69(117)54(26-18-36-91-77(86)87)97-67(115)53(25-17-35-90-76(84)85)98-72(120)59(43-94-79(105(5)6)106(7)8)103-71(119)57(41-47-21-11-10-12-22-47)95-61(109)44-93-66(114)58(42-62(110)111)101-65(113)50(82)40-48-29-31-49(108)32-30-48/h10-12,21-22,29-32,45-46,50-60,63,108H,9,13-20,23-28,33-44,80-82H2,1-8H3,(H2,83,112)(H,93,114)(H,95,109)(H,96,118)(H,97,115)(H,98,120)(H,99,121)(H,100,122)(H,101,113)(H,102,116)(H,103,119)(H,104,117)(H,110,111)(H4,84,85,90)(H4,86,87,91)(H4,88,89,92)/t46-,50-,51-,52-,53-,54-,55-,56-,57-,58+,59-,60-,63-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4.31n/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