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BDBM50393716 CHEMBL2159115

SMILES: CC(C)N(Cc1nc(c[nH]1)-c1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C

InChI Key: InChIKey=KGIDIAZLXYECSQ-NRFANRHFSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50393716   
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))
BDBM50393716
PNG
(CHEMBL2159115)
Show SMILES CC(C)N(Cc1nc(c[nH]1)-c1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C24H30N4O2/c1-15(2)28(14-23-26-13-22(27-23)18-8-6-5-7-9-18)24(30)21(25)12-20-16(3)10-19(29)11-17(20)4/h5-11,13,15,21,29H,12,14,25H2,1-4H3,(H,26,27)/t21-/m0/s1
PDB

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B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393716
PNG
(CHEMBL2159115)
Show SMILES CC(C)N(Cc1nc(c[nH]1)-c1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C24H30N4O2/c1-15(2)28(14-23-26-13-22(27-23)18-8-6-5-7-9-18)24(30)21(25)12-20-16(3)10-19(29)11-17(20)4/h5-11,13,15,21,29H,12,14,25H2,1-4H3,(H,26,27)/t21-/m0/s1
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair