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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 2' and Ligand = 'BDBM50406600'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Toll-like receptor 2


(Homo sapiens (Human))
BDBM50406600
PNG
(CHEMBL5267159)
Show SMILES CC(C)c1nc(c(C)c(-c2ccc(F)cc2)c1CCP(O)([O-])=CC(=O)CC([O-])=O)-c1ccccc1
Show InChI InChI=1S/C27H29FNO5P/c1-17(2)26-23(13-14-35(33,34)16-22(30)15-24(31)32)25(19-9-11-21(28)12-10-19)18(3)27(29-26)20-7-5-4-6-8-20/h4-12,16-17H,13-15H2,1-3H3,(H3,30,31,32,33,34)/p-2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

22n/an/an/an/an/an/an/an/a


TBA

Assay Description
Negative log concentration of antagonist was determined on 5-hydroxytryptamine 2B receptor of Rat stomach fundus


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))
BDBM50406600
PNG
(CHEMBL5267159)
Show SMILES CC(C)c1nc(c(C)c(-c2ccc(F)cc2)c1CCP(O)([O-])=CC(=O)CC([O-])=O)-c1ccccc1
Show InChI InChI=1S/C27H29FNO5P/c1-17(2)26-23(13-14-35(33,34)16-22(30)15-24(31)32)25(19-9-11-21(28)12-10-19)18(3)27(29-26)20-7-5-4-6-8-20/h4-12,16-17H,13-15H2,1-3H3,(H3,30,31,32,33,34)/p-2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

n/an/an/an/a 674n/an/an/an/a


TBA

Assay Description
Antagonistic activity against Bradykinin receptor B2 of guinea pig ileum longitudinal smooth muscle.


Citation and Details
More data for this
Ligand-Target Pair