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BDBM50031574 CHEMBL2369884::cyclo[D-Asp2,Dab5]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]-1-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#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=UITUIHASTRBDQG-HINNPSFASA-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 = 50031574   
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))
BDBM50031574
PNG
(CHEMBL2369884 | cyclo[D-Asp2,Dab5]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]-1-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#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
Show InChI InChI=1S/C75H124N26O15/c1-5-43(4)60(71(115)97-53(23-15-34-89-75(84)85)72(116)101-36-16-24-57(101)70(114)96-49(20-10-12-31-77)65(109)99-54(37-42(2)3)68(112)92-48(61(79)105)19-9-11-30-76)100-67(111)51(22-14-33-88-74(82)83)94-64(108)50(21-13-32-87-73(80)81)93-66(110)52-29-35-86-58(103)40-56(98-62(106)47(78)38-45-25-27-46(102)28-26-45)63(107)90-41-59(104)91-55(69(113)95-52)39-44-17-7-6-8-18-44/h6-8,17-18,25-28,42-43,47-57,60,102H,5,9-16,19-24,29-41,76-78H2,1-4H3,(H2,79,105)(H,86,103)(H,90,107)(H,91,104)(H,92,112)(H,93,110)(H,94,108)(H,95,113)(H,96,114)(H,97,115)(H,98,106)(H,99,109)(H,100,111)(H4,80,81,87)(H4,82,83,88)(H4,84,85,89)/t43-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56+,57+,60-/m0/s1
PDB

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.130n/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))
BDBM50031574
PNG
(CHEMBL2369884 | cyclo[D-Asp2,Dab5]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]-1-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#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
Show InChI InChI=1S/C75H124N26O15/c1-5-43(4)60(71(115)97-53(23-15-34-89-75(84)85)72(116)101-36-16-24-57(101)70(114)96-49(20-10-12-31-77)65(109)99-54(37-42(2)3)68(112)92-48(61(79)105)19-9-11-30-76)100-67(111)51(22-14-33-88-74(82)83)94-64(108)50(21-13-32-87-73(80)81)93-66(110)52-29-35-86-58(103)40-56(98-62(106)47(78)38-45-25-27-46(102)28-26-45)63(107)90-41-59(104)91-55(69(113)95-52)39-44-17-7-6-8-18-44/h6-8,17-18,25-28,42-43,47-57,60,102H,5,9-16,19-24,29-41,76-78H2,1-4H3,(H2,79,105)(H,86,103)(H,90,107)(H,91,104)(H,92,112)(H,93,110)(H,94,108)(H,95,113)(H,96,114)(H,97,115)(H,98,106)(H,99,109)(H,100,111)(H4,80,81,87)(H4,82,83,88)(H4,84,85,89)/t43-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56+,57+,60-/m0/s1
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UniProtKB/SwissProt

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PubMed
0.170n/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))
BDBM50031574
PNG
(CHEMBL2369884 | cyclo[D-Asp2,Dab5]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]-1-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#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
Show InChI InChI=1S/C75H124N26O15/c1-5-43(4)60(71(115)97-53(23-15-34-89-75(84)85)72(116)101-36-16-24-57(101)70(114)96-49(20-10-12-31-77)65(109)99-54(37-42(2)3)68(112)92-48(61(79)105)19-9-11-30-76)100-67(111)51(22-14-33-88-74(82)83)94-64(108)50(21-13-32-87-73(80)81)93-66(110)52-29-35-86-58(103)40-56(98-62(106)47(78)38-45-25-27-46(102)28-26-45)63(107)90-41-59(104)91-55(69(113)95-52)39-44-17-7-6-8-18-44/h6-8,17-18,25-28,42-43,47-57,60,102H,5,9-16,19-24,29-41,76-78H2,1-4H3,(H2,79,105)(H,86,103)(H,90,107)(H,91,104)(H,92,112)(H,93,110)(H,94,108)(H,95,113)(H,96,114)(H,97,115)(H,98,106)(H,99,109)(H,100,111)(H4,80,81,87)(H4,82,83,88)(H4,84,85,89)/t43-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56+,57+,60-/m0/s1
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UniProtKB/SwissProt

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PubMed
12n/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