Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Complement C1s subcomponent' and Ligand = 'BDBM50147059'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Complement C1s subcomponent (Homo sapiens (Human))	BDBM50147059 (4-[4-(5-Ethoxy-1-phenyl-1H-pyrazol-4-yl)-thiazol-2...) Show SMILES CCOc1c(cnn1-c1ccccc1)-c1csc(n1)-c1cc(sc1SC)C(N)=N Show InChI InChI=1S/C20H19N5OS3/c1-3-26-19-14(10-23-25(19)12-7-5-4-6-8-12)15-11-28-18(24-15)13-9-16(17(21)22)29-20(13)27-2/h4-11H,3H2,1-2H3,(H3,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
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