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BDBM50419449 CHEMBL1923027

SMILES: CCCCN=C(NCc1ccc(Cl)cc1)SCCCc1cnc[nH]1

InChI Key: InChIKey=WZRAWTVPOJVPII-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50419449   
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 receptor (H3)


(Homo sapiens (Human))
BDBM50419449
PNG
(CHEMBL1923027)
Show SMILES CCCCN=C(NCc1ccc(Cl)cc1)SCCCc1cnc[nH]1 |w:4.3|
Show InChI InChI=1S/C18H25ClN4S/c1-2-3-10-21-18(22-12-15-6-8-16(19)9-7-15)24-11-4-5-17-13-20-14-23-17/h6-9,13-14H,2-5,10-12H2,1H3,(H,20,23)(H,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.90n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H3 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting


J Med Chem 54: 8136-47 (2011)


Article DOI: 10.1021/jm201042n
BindingDB Entry DOI: 10.7270/Q2MW2JDX
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50419449
PNG
(CHEMBL1923027)
Show SMILES CCCCN=C(NCc1ccc(Cl)cc1)SCCCc1cnc[nH]1 |w:4.3|
Show InChI InChI=1S/C18H25ClN4S/c1-2-3-10-21-18(22-12-15-6-8-16(19)9-7-15)24-11-4-5-17-13-20-14-23-17/h6-9,13-14H,2-5,10-12H2,1H3,(H,20,23)(H,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
89.1n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting


J Med Chem 54: 8136-47 (2011)


Article DOI: 10.1021/jm201042n
BindingDB Entry DOI: 10.7270/Q2MW2JDX
More data for this
Ligand-Target Pair