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BDBM50011653 2-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulen-2-yl]-prop-2-ynyl}-2H-isoquinolin-1-one::CHEMBL282883

SMILES: Cc1nnc2CN=C(c3cc(sc3-n12)C#CCn1ccc2ccccc2c1=O)c1ccccc1Cl

InChI Key: InChIKey=KZADDXIFBRMCJR-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50011653   
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))
BDBM50011653
PNG
(2-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCn1ccc2ccccc2c1=O)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C27H18ClN5OS/c1-17-30-31-24-16-29-25(21-10-4-5-11-23(21)28)22-15-19(35-27(22)33(17)24)8-6-13-32-14-12-18-7-2-3-9-20(18)26(32)34/h2-5,7,9-12,14-15H,13,16H2,1H3
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n/an/a 1n/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