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BDBM50011607 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-indole-2,3-dione::CHEMBL20003

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

InChI Key: InChIKey=QALQFKFBGHKSQV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50011607   
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))
BDBM50011607
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)C(=O)c2ccccc12)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C26H16ClN5O2S/c1-15-29-30-22-14-28-23(17-8-2-4-10-20(17)27)19-13-16(35-26(19)32(15)22)7-6-12-31-21-11-5-3-9-18(21)24(33)25(31)34/h2-5,8-11,13H,12,14H2,1H3
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n/an/a 7n/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