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BDBM50011675 5-{3-[4-(6-Chloro-3-oxo-cyclohexa-1,5-dienyl)-9-methyl-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulen-2-yl]-prop-2-ynyl}-5H-phenanthridin-6-one::CHEMBL418556

SMILES: Cc1nnc2CN=C(c3cc(sc3-n12)C#CCn1c2ccccc2c2ccccc2c1=O)c1cc(O)ccc1Cl

InChI Key: InChIKey=QMWJGERBBOETSF-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 = 50011675   
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))
BDBM50011675
PNG
(5-{3-[4-(6-Chloro-3-oxo-cyclohexa-1,5-dienyl)-9-me...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCn1c2ccccc2c2ccccc2c1=O)c1cc(O)ccc1Cl |c:6|
Show InChI InChI=1S/C31H20ClN5O2S/c1-18-34-35-28-17-33-29(24-15-19(38)12-13-26(24)32)25-16-20(40-31(25)37(18)28)7-6-14-36-27-11-5-4-9-22(27)21-8-2-3-10-23(21)30(36)39/h2-5,8-13,15-16,38H,14,17H2,1H3
PDB

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PC cid
PC sid
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n/an/a 15n/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