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BDBM50011623 2a-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulen-2-yl]-prop-2-ynyl}-2a,3,4,5-tetrahydro-1H-benzo[cd]indol-2-one::CHEMBL20019

SMILES: Cc1nnc2CN=C(c3cc(sc3-n12)C#CCC12CCCc3cccc(NC1=O)c23)c1ccccc1Cl

InChI Key: InChIKey=GNTFXSAAQPPTCU-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50011623   
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))
BDBM50011623
PNG
(2a-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCC12CCCc3cccc(NC1=O)c23)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C29H22ClN5OS/c1-17-33-34-24-16-31-26(20-10-2-3-11-22(20)30)21-15-19(37-27(21)35(17)24)9-6-14-29-13-5-8-18-7-4-12-23(25(18)29)32-28(29)36/h2-4,7,10-12,15H,5,8,13-14,16H2,1H3,(H,32,36)
PDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 0.700n/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