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BDBM50414391 CHEMBL1202332::CHEMBL553423

SMILES: NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=CIIDBUDXODMZQH-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 = 50414391   
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 H4 receptor


(Homo sapiens (Human))
BDBM50414391
PNG
(CHEMBL1202332 | CHEMBL553423)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)c(Cl)c1 |w:11.12|
Show InChI InChI=1S/C14H16Cl2N4S/c15-12-4-3-10(6-13(12)16)7-19-14(17)21-5-1-2-11-8-18-9-20-11/h3-4,6,8-9H,1-2,5,7H2,(H2,17,19)(H,18,20)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.58n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Agonistic activity at histamine H4 receptor


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50414391
PNG
(CHEMBL1202332 | CHEMBL553423)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)c(Cl)c1 |w:11.12|
Show InChI InChI=1S/C14H16Cl2N4S/c15-12-4-3-10(6-13(12)16)7-19-14(17)21-5-1-2-11-8-18-9-20-11/h3-4,6,8-9H,1-2,5,7H2,(H2,17,19)(H,18,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.58n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50414391
PNG
(CHEMBL1202332 | CHEMBL553423)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)c(Cl)c1 |w:11.12|
Show InChI InChI=1S/C14H16Cl2N4S/c15-12-4-3-10(6-13(12)16)7-19-14(17)21-5-1-2-11-8-18-9-20-11/h3-4,6,8-9H,1-2,5,7H2,(H2,17,19)(H,18,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.31n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair