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BDBM50011660 1-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulen-2-yl]-prop-2-ynyl}-3,4-dihydro-1H-quinazolin-2-one::CHEMBL435756

SMILES: Cc1nnc2CN=C(c3cc(sc3-n12)C#CCN1C(=O)NCc2ccccc12)c1ccccc1Cl

InChI Key: InChIKey=YNGVAEGTQRTNRE-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50011660   
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))
BDBM50011660
PNG
(1-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCN1C(=O)NCc2ccccc12)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C26H19ClN6OS/c1-16-30-31-23-15-28-24(19-9-3-4-10-21(19)27)20-13-18(35-25(20)33(16)23)8-6-12-32-22-11-5-2-7-17(22)14-29-26(32)34/h2-5,7,9-11,13H,12,14-15H2,1H3,(H,29,34)
PDB

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PC cid
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n/an/a 6n/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