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BDBM50036267 CHEMBL268874::Dyn A(H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-Arg-Pro-Lys)-NH2

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

InChI Key: InChIKey=QFVUNUQQZFBNDU-MTGCXMICSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50036267   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50036267
PNG
(CHEMBL268874 | Dyn A(H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg...)
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(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(OC)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C64H106N22O12/c1-6-38(4)52(60(96)83-46(21-14-30-76-64(72)73)61(97)86-31-15-22-49(86)59(95)80-43(53(67)89)18-10-11-27-65)85-56(92)45(20-13-29-75-63(70)71)81-55(91)44(19-12-28-74-62(68)69)82-57(93)47(32-37(2)3)84-58(94)48(34-39-16-8-7-9-17-39)79-51(88)36-77-50(87)35-78-54(90)42(66)33-40-23-25-41(98-5)26-24-40/h7-9,16-17,23-26,37-38,42-49,52H,6,10-15,18-22,27-36,65-66H2,1-5H3,(H2,67,89)(H,77,87)(H,78,90)(H,79,88)(H,80,95)(H,81,91)(H,82,93)(H,83,96)(H,84,94)(H,85,92)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t38-,42-,43-,44-,45-,46-,47-,48-,49-,52-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 26n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its receptor binding affinity at[3H]cyclo[D-pen2,p-cl-Phe4,D-Pen5](delta receptor) to opoid receptor in guinea pig brain


J Med Chem 38: 585-6 (1995)


BindingDB Entry DOI: 10.7270/Q2NP23F7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50036267
PNG
(CHEMBL268874 | Dyn A(H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg...)
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(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(OC)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C64H106N22O12/c1-6-38(4)52(60(96)83-46(21-14-30-76-64(72)73)61(97)86-31-15-22-49(86)59(95)80-43(53(67)89)18-10-11-27-65)85-56(92)45(20-13-29-75-63(70)71)81-55(91)44(19-12-28-74-62(68)69)82-57(93)47(32-37(2)3)84-58(94)48(34-39-16-8-7-9-17-39)79-51(88)36-77-50(87)35-78-54(90)42(66)33-40-23-25-41(98-5)26-24-40/h7-9,16-17,23-26,37-38,42-49,52H,6,10-15,18-22,27-36,65-66H2,1-5H3,(H2,67,89)(H,77,87)(H,78,90)(H,79,88)(H,80,95)(H,81,91)(H,82,93)(H,83,96)(H,84,94)(H,85,92)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t38-,42-,43-,44-,45-,46-,47-,48-,49-,52-/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9.90n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 in guinea pig brain using [3H]-DAMGO as radioligand.


J Med Chem 38: 585-6 (1995)


BindingDB Entry DOI: 10.7270/Q2NP23F7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50036267
PNG
(CHEMBL268874 | Dyn A(H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg...)
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(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(OC)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C64H106N22O12/c1-6-38(4)52(60(96)83-46(21-14-30-76-64(72)73)61(97)86-31-15-22-49(86)59(95)80-43(53(67)89)18-10-11-27-65)85-56(92)45(20-13-29-75-63(70)71)81-55(91)44(19-12-28-74-62(68)69)82-57(93)47(32-37(2)3)84-58(94)48(34-39-16-8-7-9-17-39)79-51(88)36-77-50(87)35-78-54(90)42(66)33-40-23-25-41(98-5)26-24-40/h7-9,16-17,23-26,37-38,42-49,52H,6,10-15,18-22,27-36,65-66H2,1-5H3,(H2,67,89)(H,77,87)(H,78,90)(H,79,88)(H,80,95)(H,81,91)(H,82,93)(H,83,96)(H,84,94)(H,85,92)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t38-,42-,43-,44-,45-,46-,47-,48-,49-,52-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.580n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor kappa 1 in guinea pig brain using [3H]-U-69,593 as radioligand.


J Med Chem 38: 585-6 (1995)


BindingDB Entry DOI: 10.7270/Q2NP23F7
More data for this
Ligand-Target Pair