new BindingDB logo
myBDB logout

BDBM50011650 1-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulen-2-yl]-prop-2-ynyl}-3-methyl-1,3-dihydro-benzoimidazol-2-one::CHEMBL20195

SMILES: Cc1nnc2CN=C(c3cc(sc3-n12)C#CCn1c2ccccc2n(C)c1=O)c1ccccc1Cl

InChI Key: InChIKey=XQDKFZYQNGLBOC-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50011650   
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
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011650
PNG
(1-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCn1c2ccccc2n(C)c1=O)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C26H19ClN6OS/c1-16-29-30-23-15-28-24(18-9-3-4-10-20(18)27)19-14-17(35-25(19)33(16)23)8-7-13-32-22-12-6-5-11-21(22)31(2)26(32)34/h3-6,9-12,14H,13,15H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.300n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
More data for this
Ligand-Target Pair