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BDBM50057385 Analog of Dynorphin A::CHEMBL406899

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O

InChI Key: InChIKey=GBWRFRNRTHKYGC-WMMJVZBNSA-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 = 50057385   
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/kappa opioid receptor


(GUINEA PIG)
BDBM50057385
PNG
(Analog of Dynorphin A | CHEMBL406899)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C73H120N24O17/c1-5-42(4)59(68(111)92-50(23-15-33-85-73(81)82)69(112)97-34-16-24-55(97)67(110)91-47(19-9-11-29-74)62(105)94-52(35-41(2)3)64(107)93-51(70(113)114)20-10-12-30-75)96-63(106)49(22-14-32-84-72(79)80)89-61(104)48(21-13-31-83-71(77)78)90-66(109)54(38-58(101)102)95-65(108)53(37-43-17-7-6-8-18-43)88-57(100)40-86-56(99)39-87-60(103)46(76)36-44-25-27-45(98)28-26-44/h6-8,17-18,25-28,41-42,46-55,59,98H,5,9-16,19-24,29-40,74-76H2,1-4H3,(H,86,99)(H,87,103)(H,88,100)(H,89,104)(H,90,109)(H,91,110)(H,92,111)(H,93,107)(H,94,105)(H,95,108)(H,96,106)(H,101,102)(H,113,114)(H4,77,78,83)(H4,79,80,84)(H4,81,82,85)/t42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,59-/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.10n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor mu 1 by competitive inhibition of radioligand [3H]-DAMGO using cloned receptors transiently expressed on CHO cell...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50057385
PNG
(Analog of Dynorphin A | CHEMBL406899)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C73H120N24O17/c1-5-42(4)59(68(111)92-50(23-15-33-85-73(81)82)69(112)97-34-16-24-55(97)67(110)91-47(19-9-11-29-74)62(105)94-52(35-41(2)3)64(107)93-51(70(113)114)20-10-12-30-75)96-63(106)49(22-14-32-84-72(79)80)89-61(104)48(21-13-31-83-71(77)78)90-66(109)54(38-58(101)102)95-65(108)53(37-43-17-7-6-8-18-43)88-57(100)40-86-56(99)39-87-60(103)46(76)36-44-25-27-45(98)28-26-44/h6-8,17-18,25-28,41-42,46-55,59,98H,5,9-16,19-24,29-40,74-76H2,1-4H3,(H,86,99)(H,87,103)(H,88,100)(H,89,104)(H,90,109)(H,91,110)(H,92,111)(H,93,107)(H,94,105)(H,95,108)(H,96,106)(H,101,102)(H,113,114)(H4,77,78,83)(H4,79,80,84)(H4,81,82,85)/t42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,59-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
58n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor kappa 1 by competitive inhibition of radioligand [3H]-diprenorphine using cloned receptors transiently expressed ...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50057385
PNG
(Analog of Dynorphin A | CHEMBL406899)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C73H120N24O17/c1-5-42(4)59(68(111)92-50(23-15-33-85-73(81)82)69(112)97-34-16-24-55(97)67(110)91-47(19-9-11-29-74)62(105)94-52(35-41(2)3)64(107)93-51(70(113)114)20-10-12-30-75)96-63(106)49(22-14-32-84-72(79)80)89-61(104)48(21-13-31-83-71(77)78)90-66(109)54(38-58(101)102)95-65(108)53(37-43-17-7-6-8-18-43)88-57(100)40-86-56(99)39-87-60(103)46(76)36-44-25-27-45(98)28-26-44/h6-8,17-18,25-28,41-42,46-55,59,98H,5,9-16,19-24,29-40,74-76H2,1-4H3,(H,86,99)(H,87,103)(H,88,100)(H,89,104)(H,90,109)(H,91,110)(H,92,111)(H,93,107)(H,94,105)(H,95,108)(H,96,106)(H,101,102)(H,113,114)(H4,77,78,83)(H4,79,80,84)(H4,81,82,85)/t42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,59-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 by competitive inhibition of radioligand [3H]-DPDPE using cloned receptors transiently expressed on CHO c...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair