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BDBM50057382 Analog of Dynorphin A::CHEMBL386618

SMILES: CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O

InChI Key: InChIKey=RWOANWRJDINCAV-MIQZKGAQSA-N

Data: 3 KI

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50057382   
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


(Cavia porcellus (domestic guinea pig))
BDBM50057382
PNG
(Analog of Dynorphin A | CHEMBL386618)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C71H115N25O16/c1-40(2)34-51(63(106)93-50(68(111)112)17-7-9-28-73)94-61(104)46(16-6-8-27-72)91-66(109)54-21-13-33-96(54)67(110)49(20-12-31-84-71(79)80)92-62(105)48-26-32-81-59(102)45(18-10-29-82-69(75)76)89-60(103)47(19-11-30-83-70(77)78)90-65(108)53(37-55(98)87-48)95-64(107)52(36-41-14-4-3-5-15-41)88-57(100)39-85-56(99)38-86-58(101)44(74)35-42-22-24-43(97)25-23-42/h3-5,14-15,22-25,40,44-54,97H,6-13,16-21,26-39,72-74H2,1-2H3,(H,81,102)(H,85,99)(H,86,101)(H,87,98)(H,88,100)(H,89,103)(H,90,108)(H,91,109)(H,92,105)(H,93,106)(H,94,104)(H,95,107)(H,111,112)(H4,75,76,82)(H4,77,78,83)(H4,79,80,84)/t44-,45-,46-,47+,48+,49-,50-,51-,52-,53+,54-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/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
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50057382
PNG
(Analog of Dynorphin A | CHEMBL386618)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C71H115N25O16/c1-40(2)34-51(63(106)93-50(68(111)112)17-7-9-28-73)94-61(104)46(16-6-8-27-72)91-66(109)54-21-13-33-96(54)67(110)49(20-12-31-84-71(79)80)92-62(105)48-26-32-81-59(102)45(18-10-29-82-69(75)76)89-60(103)47(19-11-30-83-70(77)78)90-65(108)53(37-55(98)87-48)95-64(107)52(36-41-14-4-3-5-15-41)88-57(100)39-85-56(99)38-86-58(101)44(74)35-42-22-24-43(97)25-23-42/h3-5,14-15,22-25,40,44-54,97H,6-13,16-21,26-39,72-74H2,1-2H3,(H,81,102)(H,85,99)(H,86,101)(H,87,98)(H,88,100)(H,89,103)(H,90,108)(H,91,109)(H,92,105)(H,93,106)(H,94,104)(H,95,107)(H,111,112)(H4,75,76,82)(H4,77,78,83)(H4,79,80,84)/t44-,45-,46-,47+,48+,49-,50-,51-,52-,53+,54-/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
40n/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
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50057382
PNG
(Analog of Dynorphin A | CHEMBL386618)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C71H115N25O16/c1-40(2)34-51(63(106)93-50(68(111)112)17-7-9-28-73)94-61(104)46(16-6-8-27-72)91-66(109)54-21-13-33-96(54)67(110)49(20-12-31-84-71(79)80)92-62(105)48-26-32-81-59(102)45(18-10-29-82-69(75)76)89-60(103)47(19-11-30-83-70(77)78)90-65(108)53(37-55(98)87-48)95-64(107)52(36-41-14-4-3-5-15-41)88-57(100)39-85-56(99)38-86-58(101)44(74)35-42-22-24-43(97)25-23-42/h3-5,14-15,22-25,40,44-54,97H,6-13,16-21,26-39,72-74H2,1-2H3,(H,81,102)(H,85,99)(H,86,101)(H,87,98)(H,88,100)(H,89,103)(H,90,108)(H,91,109)(H,92,105)(H,93,106)(H,94,104)(H,95,107)(H,111,112)(H4,75,76,82)(H4,77,78,83)(H4,79,80,84)/t44-,45-,46-,47+,48+,49-,50-,51-,52-,53+,54-/m0/s1
PDB

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UniProtKB/SwissProt

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

Similars

Article
PubMed
4.10E+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