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BDBM50011668 1-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulen-2-yl]-prop-2-ynyl}-4,4-dimethyl-3,4-dihydro-1H-quinolin-2-one::CHEMBL417275

SMILES: Cc1nnc2CN=C(c3cc(sc3-n12)C#CCN1C(=O)CC(C)(C)c2ccccc12)c1ccccc1Cl

InChI Key: InChIKey=YJPXFFZKJNNBRB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50011668   
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))
BDBM50011668
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)CC(C)(C)c2ccccc12)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C29H24ClN5OS/c1-18-32-33-25-17-31-27(20-10-4-6-12-23(20)30)21-15-19(37-28(21)35(18)25)9-8-14-34-24-13-7-5-11-22(24)29(2,3)16-26(34)36/h4-7,10-13,15H,14,16-17H2,1-3H3
PDB

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PC cid
PC sid
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n/an/a 12n/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