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BDBM50011666 1-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulen-2-yl]-prop-2-ynyl}-1H-benzo[cd]indol-2-one::CHEMBL20208

SMILES: Cc1nnc2CN=C(c3cc(sc3-n12)C#CCN1C(=O)c2cccc3cccc1c23)c1ccccc1Cl

InChI Key: InChIKey=ULEXNLGTXZPMKB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50011666   
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))
BDBM50011666
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)c2cccc3cccc1c23)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C29H18ClN5OS/c1-17-32-33-25-16-31-27(20-10-2-3-12-23(20)30)22-15-19(37-29(22)35(17)25)9-6-14-34-24-13-5-8-18-7-4-11-21(26(18)24)28(34)36/h2-5,7-8,10-13,15H,14,16H2,1H3
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n/an/a 5n/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