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BDBM50399635 CHEMBL2181192

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H]1Cc2ccccc2CN([C@@H](CCCCN)C(N)=O)C1=O

InChI Key: InChIKey=ULEAONYLHPWGFF-PUHABZHSSA-N

Data: 2 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 4 hits for monomerid = 50399635   
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))
BDBM50399635
PNG
(CHEMBL2181192)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H]1Cc2ccccc2CN([C@@H](CCCCN)C(N)=O)C1=O |r|
Show InChI InChI=1S/C33H48N8O6/c1-19-14-23(42)15-20(2)24(19)17-25(35)30(44)39-26(10-7-13-38-33(37)47)31(45)40-27-16-21-8-3-4-9-22(21)18-41(32(27)46)28(29(36)43)11-5-6-12-34/h3-4,8-9,14-15,25-28,42H,5-7,10-13,16-18,34-35H2,1-2H3,(H2,36,43)(H,39,44)(H,40,45)(H3,37,38,47)/t25-,26+,27-,28-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.62n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


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


J Med Chem 55: 9549-61 (2012)


Article DOI: 10.1021/jm3008079
BindingDB Entry DOI: 10.7270/Q2TM7C82
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50399635
PNG
(CHEMBL2181192)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H]1Cc2ccccc2CN([C@@H](CCCCN)C(N)=O)C1=O |r|
Show InChI InChI=1S/C33H48N8O6/c1-19-14-23(42)15-20(2)24(19)17-25(35)30(44)39-26(10-7-13-38-33(37)47)31(45)40-27-16-21-8-3-4-9-22(21)18-41(32(27)46)28(29(36)43)11-5-6-12-34/h3-4,8-9,14-15,25-28,42H,5-7,10-13,16-18,34-35H2,1-2H3,(H2,36,43)(H,39,44)(H,40,45)(H3,37,38,47)/t25-,26+,27-,28-/m0/s1
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PC cid
PC sid
UniChem
Article
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56.9n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


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


J Med Chem 55: 9549-61 (2012)


Article DOI: 10.1021/jm3008079
BindingDB Entry DOI: 10.7270/Q2TM7C82
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50399635
PNG
(CHEMBL2181192)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H]1Cc2ccccc2CN([C@@H](CCCCN)C(N)=O)C1=O |r|
Show InChI InChI=1S/C33H48N8O6/c1-19-14-23(42)15-20(2)24(19)17-25(35)30(44)39-26(10-7-13-38-33(37)47)31(45)40-27-16-21-8-3-4-9-22(21)18-41(32(27)46)28(29(36)43)11-5-6-12-34/h3-4,8-9,14-15,25-28,42H,5-7,10-13,16-18,34-35H2,1-2H3,(H2,36,43)(H,39,44)(H,40,45)(H3,37,38,47)/t25-,26+,27-,28-/m0/s1
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PC sid
UniChem
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n/an/a 1.00E+3n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens


J Med Chem 55: 9549-61 (2012)


Article DOI: 10.1021/jm3008079
BindingDB Entry DOI: 10.7270/Q2TM7C82
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50399635
PNG
(CHEMBL2181192)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H]1Cc2ccccc2CN([C@@H](CCCCN)C(N)=O)C1=O |r|
Show InChI InChI=1S/C33H48N8O6/c1-19-14-23(42)15-20(2)24(19)17-25(35)30(44)39-26(10-7-13-38-33(37)47)31(45)40-27-16-21-8-3-4-9-22(21)18-41(32(27)46)28(29(36)43)11-5-6-12-34/h3-4,8-9,14-15,25-28,42H,5-7,10-13,16-18,34-35H2,1-2H3,(H2,36,43)(H,39,44)(H,40,45)(H3,37,38,47)/t25-,26+,27-,28-/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum


J Med Chem 55: 9549-61 (2012)


Article DOI: 10.1021/jm3008079
BindingDB Entry DOI: 10.7270/Q2TM7C82
More data for this
Ligand-Target Pair