BindingDB logo
myBDB logout

BDBM50371288 CHEMBL272698

SMILES: CNCc1cc(ccc1Oc1ccc(Cl)cc1F)C(=O)N1CCCN(CC1)C1CC1

InChI Key: InChIKey=KTXYACXXINQJMM-UHFFFAOYSA-N

Data: 3 KI

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 = 50371288   
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
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50371288
PNG
(CHEMBL272698)
Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1F)C(=O)N1CCCN(CC1)C1CC1
Show InChI InChI=1S/C23H27ClFN3O2/c1-26-15-17-13-16(3-7-21(17)30-22-8-4-18(24)14-20(22)25)23(29)28-10-2-9-27(11-12-28)19-5-6-19/h3-4,7-8,13-14,19,26H,2,5-6,9-12,15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human histamine H3 receptor


Bioorg Med Chem Lett 18: 39-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50371288
PNG
(CHEMBL272698)
Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1F)C(=O)N1CCCN(CC1)C1CC1
Show InChI InChI=1S/C23H27ClFN3O2/c1-26-15-17-13-16(3-7-21(17)30-22-8-4-18(24)14-20(22)25)23(29)28-10-2-9-27(11-12-28)19-5-6-19/h3-4,7-8,13-14,19,26H,2,5-6,9-12,15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.90n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of rat SERT


Bioorg Med Chem Lett 18: 39-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50371288
PNG
(CHEMBL272698)
Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1F)C(=O)N1CCCN(CC1)C1CC1
Show InChI InChI=1S/C23H27ClFN3O2/c1-26-15-17-13-16(3-7-21(17)30-22-8-4-18(24)14-20(22)25)23(29)28-10-2-9-27(11-12-28)19-5-6-19/h3-4,7-8,13-14,19,26H,2,5-6,9-12,15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
41n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human SERT


Bioorg Med Chem Lett 18: 39-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD
More data for this
Ligand-Target Pair