Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Complement C1s subcomponent' and Ligand = 'BDBM50147055'   

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))	BDBM50147055 (4-{4-[5-(3-Methyl-butoxy)-1-phenyl-1H-pyrazol-4-yl...) Show SMILES CSc1sc(cc1-c1nc(cs1)-c1cnn(c1OCCC(C)C)-c1ccccc1)C(N)=N Show InChI InChI=1S/C23H25N5OS3/c1-14(2)9-10-29-22-17(12-26-28(22)15-7-5-4-6-8-15)18-13-31-21(27-18)16-11-19(20(24)25)32-23(16)30-3/h4-8,11-14H,9-10H2,1-3H3,(H3,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	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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