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BDBM50011624 2-(3-Benzoimidazol-1-yl-prop-1-ynyl)-4-(2-chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulene::CHEMBL277029

SMILES: Cc1nnc2CN=C(c3cc(sc3-n12)C#CCn1cnc2ccccc12)c1ccccc1Cl

InChI Key: InChIKey=OZRSDKXTXHALOY-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 = 50011624   
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))
BDBM50011624
PNG
(2-(3-Benzoimidazol-1-yl-prop-1-ynyl)-4-(2-chloro-p...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCn1cnc2ccccc12)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C25H17ClN6S/c1-16-29-30-23-14-27-24(18-8-2-3-9-20(18)26)19-13-17(33-25(19)32(16)23)7-6-12-31-15-28-21-10-4-5-11-22(21)31/h2-5,8-11,13,15H,12,14H2,1H3
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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