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BDBM50031571 CHEMBL2369883::cyclo[D-Asp2,Dap5]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]-[#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=KPBCWPPVLXNUSE-BPGNHHHMSA-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 = 50031571   
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))
BDBM50031571
PNG
(CHEMBL2369883 | cyclo[D-Asp2,Dap5]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]-[#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/C74H122N26O15/c1-5-42(4)59(70(114)95-51(23-15-33-87-74(83)84)71(115)100-34-16-24-56(100)69(113)94-48(20-10-12-30-76)64(108)97-52(35-41(2)3)66(110)91-47(60(78)104)19-9-11-29-75)99-65(109)50(22-14-32-86-73(81)82)92-63(107)49(21-13-31-85-72(79)80)93-68(112)55-39-88-57(102)38-54(96-61(105)46(77)36-44-25-27-45(101)28-26-44)62(106)89-40-58(103)90-53(67(111)98-55)37-43-17-7-6-8-18-43/h6-8,17-18,25-28,41-42,46-56,59,101H,5,9-16,19-24,29-40,75-77H2,1-4H3,(H2,78,104)(H,88,102)(H,89,106)(H,90,103)(H,91,110)(H,92,107)(H,93,112)(H,94,113)(H,95,114)(H,96,105)(H,97,108)(H,98,111)(H,99,109)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t42-,46-,47-,48-,49-,50-,51-,52-,53-,54+,55-,56+,59-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.220n/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))
BDBM50031571
PNG
(CHEMBL2369883 | cyclo[D-Asp2,Dap5]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]-[#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/C74H122N26O15/c1-5-42(4)59(70(114)95-51(23-15-33-87-74(83)84)71(115)100-34-16-24-56(100)69(113)94-48(20-10-12-30-76)64(108)97-52(35-41(2)3)66(110)91-47(60(78)104)19-9-11-29-75)99-65(109)50(22-14-32-86-73(81)82)92-63(107)49(21-13-31-85-72(79)80)93-68(112)55-39-88-57(102)38-54(96-61(105)46(77)36-44-25-27-45(101)28-26-44)62(106)89-40-58(103)90-53(67(111)98-55)37-43-17-7-6-8-18-43/h6-8,17-18,25-28,41-42,46-56,59,101H,5,9-16,19-24,29-40,75-77H2,1-4H3,(H2,78,104)(H,88,102)(H,89,106)(H,90,103)(H,91,110)(H,92,107)(H,93,112)(H,94,113)(H,95,114)(H,96,105)(H,97,108)(H,98,111)(H,99,109)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t42-,46-,47-,48-,49-,50-,51-,52-,53-,54+,55-,56+,59-/m0/s1
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UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.490n/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))
BDBM50031571
PNG
(CHEMBL2369883 | cyclo[D-Asp2,Dap5]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]-[#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/C74H122N26O15/c1-5-42(4)59(70(114)95-51(23-15-33-87-74(83)84)71(115)100-34-16-24-56(100)69(113)94-48(20-10-12-30-76)64(108)97-52(35-41(2)3)66(110)91-47(60(78)104)19-9-11-29-75)99-65(109)50(22-14-32-86-73(81)82)92-63(107)49(21-13-31-85-72(79)80)93-68(112)55-39-88-57(102)38-54(96-61(105)46(77)36-44-25-27-45(101)28-26-44)62(106)89-40-58(103)90-53(67(111)98-55)37-43-17-7-6-8-18-43/h6-8,17-18,25-28,41-42,46-56,59,101H,5,9-16,19-24,29-40,75-77H2,1-4H3,(H2,78,104)(H,88,102)(H,89,106)(H,90,103)(H,91,110)(H,92,107)(H,93,112)(H,94,113)(H,95,114)(H,96,105)(H,97,108)(H,98,111)(H,99,109)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t42-,46-,47-,48-,49-,50-,51-,52-,53-,54+,55-,56+,59-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
10.2n/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