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BDBM50393718 CHEMBL2159111

SMILES: C[C@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1

InChI Key: InChIKey=MPKSCXRJQWSUIH-FPOITTPVNA-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 = 50393718   
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))
BDBM50393718
PNG
(CHEMBL2159111)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C22H26N4O2/c1-13-9-17(27)10-14(2)18(13)11-19(23)22(28)25-15(3)21-24-12-20(26-21)16-7-5-4-6-8-16/h4-10,12,15,19,27H,11,23H2,1-3H3,(H,24,26)(H,25,28)/t15-,19-/s2
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
17n/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))
BDBM50393718
PNG
(CHEMBL2159111)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C22H26N4O2/c1-13-9-17(27)10-14(2)18(13)11-19(23)22(28)25-15(3)21-24-12-20(26-21)16-7-5-4-6-8-16/h4-10,12,15,19,27H,11,23H2,1-3H3,(H,24,26)(H,25,28)/t15-,19-/s2
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
708n/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