BindingDB logo
myBDB logout

null

SMILES: NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)cc1

InChI Key: InChIKey=WAMNYXSYMFPZCW-UHFFFAOYSA-N

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 3 hits for monomerid = 50417589   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50417589
PNG
(CHEMBL1642747)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C26H27N3O/c27-26(30)22-9-12-25-21(14-22)6-3-13-29(25)24-10-7-18(8-11-24)17-28-23-15-19-4-1-2-5-20(19)16-23/h1-2,4-5,7-12,14,23,28H,3,6,13,15-17H2,(H2,27,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.010
BindingDB Entry DOI: 10.7270/Q2KD2051
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50417589
PNG
(CHEMBL1642747)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C26H27N3O/c27-26(30)22-9-12-25-21(14-22)6-3-13-29(25)24-10-7-18(8-11-24)17-28-23-15-19-4-1-2-5-20(19)16-23/h1-2,4-5,7-12,14,23,28H,3,6,13,15-17H2,(H2,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
25n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.010
BindingDB Entry DOI: 10.7270/Q2KD2051
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50417589
PNG
(CHEMBL1642747)
Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C26H27N3O/c27-26(30)22-9-12-25-21(14-22)6-3-13-29(25)24-10-7-18(8-11-24)17-28-23-15-19-4-1-2-5-20(19)16-23/h1-2,4-5,7-12,14,23,28H,3,6,13,15-17H2,(H2,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA


Bioorg Med Chem Lett 21: 670-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.010
BindingDB Entry DOI: 10.7270/Q2KD2051
More data for this
Ligand-Target Pair