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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Complement C1s' and Ligand = 'BDBM50099937'   
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
Complement C1s


(Homo sapiens (Human))
BDBM50099937
PNG
(5-Methylsulfanyl-4-(4-phenoxymethyl-thiazol-2-yl)-...)
Show SMILES CSc1sc(cc1-c1nc(COc2ccccc2)cs1)C(N)=N
Show InChI InChI=1S/C16H15N3OS3/c1-21-16-12(7-13(23-16)14(17)18)15-19-10(9-22-15)8-20-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H3,17,18)
PDB
MMDB

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Article
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520n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair