BindingDB logo
myBDB logout

null

SMILES: Clc1cccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)c1

InChI Key: InChIKey=DJSUCHMXQOIATH-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 4 hits for monomerid = 50515320   
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
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50515320
PNG
(CHEMBL4441630)
Show SMILES Clc1cccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:13:15:21:18|
Show InChI InChI=1S/C17H17ClN4O/c18-12-2-1-3-13(5-12)21-17(23)11-4-16(8-19-7-11)22-9-14-6-15(10-22)20-14/h1-5,7-8,14-15,20H,6,9-10H2,(H,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
42n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane


Eur J Med Chem 180: 51-61 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.079
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50515320
PNG
(CHEMBL4441630)
Show SMILES Clc1cccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:13:15:21:18|
Show InChI InChI=1S/C17H17ClN4O/c18-12-2-1-3-13(5-12)21-17(23)11-4-16(8-19-7-11)22-9-14-6-15(10-22)20-14/h1-5,7-8,14-15,20H,6,9-10H2,(H,21,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
59n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK243 cell membrane


Eur J Med Chem 180: 51-61 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.079
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50515320
PNG
(CHEMBL4441630)
Show SMILES Clc1cccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:13:15:21:18|
Show InChI InChI=1S/C17H17ClN4O/c18-12-2-1-3-13(5-12)21-17(23)11-4-16(8-19-7-11)22-9-14-6-15(10-22)20-14/h1-5,7-8,14-15,20H,6,9-10H2,(H,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.29E+4n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7nAChR in rat hippocampus membrane


Eur J Med Chem 180: 51-61 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.079
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50515320
PNG
(CHEMBL4441630)
Show SMILES Clc1cccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:13:15:21:18|
Show InChI InChI=1S/C17H17ClN4O/c18-12-2-1-3-13(5-12)21-17(23)11-4-16(8-19-7-11)22-9-14-6-15(10-22)20-14/h1-5,7-8,14-15,20H,6,9-10H2,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR expressed in GH4C1 cells assessed as increase in inward channel current measured after 3 to 4 days at -70...


Eur J Med Chem 180: 51-61 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.079
More data for this
Ligand-Target Pair