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BDBM50031572 CHEMBL2369873::[D-Asp2,Orn(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]-[#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=YGRNKCUUIYRGAD-SNMRTSGYSA-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 = 50031572   
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))
BDBM50031572
PNG
(CHEMBL2369873 | [D-Asp2,Orn(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]-[#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/C81H138N28O16/c1-9-48(4)65(76(124)103-58(29-20-39-94-80(90)91)77(125)109-41-21-30-62(109)75(123)102-54(25-14-16-36-83)71(119)105-59(42-47(2)3)73(121)98-53(66(85)114)24-13-15-35-82)106-72(120)57(27-18-38-93-79(88)89)100-69(117)55(26-17-37-92-78(86)87)99-70(118)56(28-19-40-95-81(107(5)6)108(7)8)101-74(122)60(44-49-22-11-10-12-23-49)97-63(111)46-96-68(116)61(45-64(112)113)104-67(115)52(84)43-50-31-33-51(110)34-32-50/h10-12,22-23,31-34,47-48,52-62,65,110H,9,13-21,24-30,35-46,82-84H2,1-8H3,(H2,85,114)(H,96,116)(H,97,111)(H,98,121)(H,99,118)(H,100,117)(H,101,122)(H,102,123)(H,103,124)(H,104,115)(H,105,119)(H,106,120)(H,112,113)(H4,86,87,92)(H4,88,89,93)(H4,90,91,94)/t48-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61+,62-,65-/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
0.280n/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))
BDBM50031572
PNG
(CHEMBL2369873 | [D-Asp2,Orn(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]-[#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/C81H138N28O16/c1-9-48(4)65(76(124)103-58(29-20-39-94-80(90)91)77(125)109-41-21-30-62(109)75(123)102-54(25-14-16-36-83)71(119)105-59(42-47(2)3)73(121)98-53(66(85)114)24-13-15-35-82)106-72(120)57(27-18-38-93-79(88)89)100-69(117)55(26-17-37-92-78(86)87)99-70(118)56(28-19-40-95-81(107(5)6)108(7)8)101-74(122)60(44-49-22-11-10-12-23-49)97-63(111)46-96-68(116)61(45-64(112)113)104-67(115)52(84)43-50-31-33-51(110)34-32-50/h10-12,22-23,31-34,47-48,52-62,65,110H,9,13-21,24-30,35-46,82-84H2,1-8H3,(H2,85,114)(H,96,116)(H,97,111)(H,98,121)(H,99,118)(H,100,117)(H,101,122)(H,102,123)(H,103,124)(H,104,115)(H,105,119)(H,106,120)(H,112,113)(H4,86,87,92)(H4,88,89,93)(H4,90,91,94)/t48-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61+,62-,65-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.360n/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))
BDBM50031572
PNG
(CHEMBL2369873 | [D-Asp2,Orn(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]-[#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/C81H138N28O16/c1-9-48(4)65(76(124)103-58(29-20-39-94-80(90)91)77(125)109-41-21-30-62(109)75(123)102-54(25-14-16-36-83)71(119)105-59(42-47(2)3)73(121)98-53(66(85)114)24-13-15-35-82)106-72(120)57(27-18-38-93-79(88)89)100-69(117)55(26-17-37-92-78(86)87)99-70(118)56(28-19-40-95-81(107(5)6)108(7)8)101-74(122)60(44-49-22-11-10-12-23-49)97-63(111)46-96-68(116)61(45-64(112)113)104-67(115)52(84)43-50-31-33-51(110)34-32-50/h10-12,22-23,31-34,47-48,52-62,65,110H,9,13-21,24-30,35-46,82-84H2,1-8H3,(H2,85,114)(H,96,116)(H,97,111)(H,98,121)(H,99,118)(H,100,117)(H,101,122)(H,102,123)(H,103,124)(H,104,115)(H,105,119)(H,106,120)(H,112,113)(H4,86,87,92)(H4,88,89,93)(H4,90,91,94)/t48-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61+,62-,65-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
14.2n/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