new BindingDB logo
myBDB logout

BDBM50011659 2-{3-[6-(2-Chloro-phenyl)-1-methyl-4H-2,3,5,10b-tetraaza-benzo[e]azulen-8-yl]-prop-2-ynyl}-isoindole-1,3-dione::CHEMBL20033

SMILES: Cc1nnc2CN=C(c3ccccc3Cl)c3cc(ccc3-n12)C#CCN1C(=O)c2ccccc2C1=O

InChI Key: InChIKey=CMMNDFAEJOVKBM-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50011659   
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))
BDBM50011659
PNG
(2-{3-[6-(2-Chloro-phenyl)-1-methyl-4H-2,3,5,10b-te...)
Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(ccc3-n12)C#CCN1C(=O)c2ccccc2C1=O |t:6|
Show InChI InChI=1S/C28H18ClN5O2/c1-17-31-32-25-16-30-26(21-10-4-5-11-23(21)29)22-15-18(12-13-24(22)34(17)25)7-6-14-33-27(35)19-8-2-3-9-20(19)28(33)36/h2-5,8-13,15H,14,16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 20n/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