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SMILES: CCCc1c(cnn1-c1ccccc1)-c1csc(n1)-c1cc(sc1SC)C(N)=N

InChI Key: InChIKey=UUHREWALSIMSCY-UHFFFAOYSA-N

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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 = 50147047   
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
Complement C1s subcomponent


(Homo sapiens (Human))		BDBM50147047
PNG
(5-Methylsulfanyl-4-[4-(1-phenyl-5-propyl-1H-pyrazo...)
Show SMILES CCCc1c(cnn1-c1ccccc1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C21H21N5S3/c1-3-7-17-15(11-24-26(17)13-8-5-4-6-9-13)16-12-28-20(25-16)14-10-18(19(22)23)29-21(14)27-2/h4-6,8-12H,3,7H2,1-2H3,(H3,22,23)
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Article
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 60n/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