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BDBM50008834 CHEMBL3236671

SMILES: Cc1cccc(C)c1C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCCN)C(O)=O

InChI Key: InChIKey=MMMRATAUUXFRID-CRNKYVSFSA-N

Data: 3 KI  2 IC50

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 5 hits for monomerid = 50008834   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50008834
PNG
(CHEMBL3236671)
Show SMILES Cc1cccc(C)c1C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C34H52N8O6/c1-19-9-7-10-20(2)25(19)18-29(32(46)41-28(33(47)48)11-5-6-13-35)42-31(45)27(12-8-14-39-34(37)38)40-30(44)26(36)17-24-21(3)15-23(43)16-22(24)4/h7,9-10,15-16,26-29,43H,5-6,8,11-14,17-18,35-36H2,1-4H3,(H,40,44)(H,41,46)(H,42,45)(H,47,48)(H4,37,38,39)/t26-,27+,28-,29-/m0/s1
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Article
PubMed
0.00935n/an/an/an/an/an/an/an/a



Nanjing Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes after 2 hrs


Bioorg Med Chem 22: 2333-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.011
BindingDB Entry DOI: 10.7270/Q20P11JG
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008834
PNG
(CHEMBL3236671)
Show SMILES Cc1cccc(C)c1C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C34H52N8O6/c1-19-9-7-10-20(2)25(19)18-29(32(46)41-28(33(47)48)11-5-6-13-35)42-31(45)27(12-8-14-39-34(37)38)40-30(44)26(36)17-24-21(3)15-23(43)16-22(24)4/h7,9-10,15-16,26-29,43H,5-6,8,11-14,17-18,35-36H2,1-4H3,(H,40,44)(H,41,46)(H,42,45)(H,47,48)(H4,37,38,39)/t26-,27+,28-,29-/m0/s1
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PubMed
4.70n/an/an/an/an/an/an/an/a



Nanjing Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs


Bioorg Med Chem 22: 2333-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.011
BindingDB Entry DOI: 10.7270/Q20P11JG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50008834
PNG
(CHEMBL3236671)
Show SMILES Cc1cccc(C)c1C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C34H52N8O6/c1-19-9-7-10-20(2)25(19)18-29(32(46)41-28(33(47)48)11-5-6-13-35)42-31(45)27(12-8-14-39-34(37)38)40-30(44)26(36)17-24-21(3)15-23(43)16-22(24)4/h7,9-10,15-16,26-29,43H,5-6,8,11-14,17-18,35-36H2,1-4H3,(H,40,44)(H,41,46)(H,42,45)(H,47,48)(H4,37,38,39)/t26-,27+,28-,29-/m0/s1
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105n/an/an/an/an/an/an/an/a



Nanjing Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes after 2 hrs


Bioorg Med Chem 22: 2333-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.011
BindingDB Entry DOI: 10.7270/Q20P11JG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50008834
PNG
(CHEMBL3236671)
Show SMILES Cc1cccc(C)c1C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C34H52N8O6/c1-19-9-7-10-20(2)25(19)18-29(32(46)41-28(33(47)48)11-5-6-13-35)42-31(45)27(12-8-14-39-34(37)38)40-30(44)26(36)17-24-21(3)15-23(43)16-22(24)4/h7,9-10,15-16,26-29,43H,5-6,8,11-14,17-18,35-36H2,1-4H3,(H,40,44)(H,41,46)(H,42,45)(H,47,48)(H4,37,38,39)/t26-,27+,28-,29-/m0/s1
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Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Nanjing Medical University

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction


Bioorg Med Chem 22: 2333-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.011
BindingDB Entry DOI: 10.7270/Q20P11JG
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50008834
PNG
(CHEMBL3236671)
Show SMILES Cc1cccc(C)c1C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C34H52N8O6/c1-19-9-7-10-20(2)25(19)18-29(32(46)41-28(33(47)48)11-5-6-13-35)42-31(45)27(12-8-14-39-34(37)38)40-30(44)26(36)17-24-21(3)15-23(43)16-22(24)4/h7,9-10,15-16,26-29,43H,5-6,8,11-14,17-18,35-36H2,1-4H3,(H,40,44)(H,41,46)(H,42,45)(H,47,48)(H4,37,38,39)/t26-,27+,28-,29-/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Nanjing Medical University

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


Bioorg Med Chem 22: 2333-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.011
BindingDB Entry DOI: 10.7270/Q20P11JG
More data for this
Ligand-Target Pair