Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Complement C1r subcomponent' and Ligand = 'BDBM50289001'   

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 C1r subcomponent (Homo sapiens (Human))	BDBM50289001 (2-(2-Iodo-phenyl)-6,7-dimethoxy-benzo[d][1,3]oxazi...) Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1I Show InChI InChI=1S/C16H12INO4/c1-20-13-7-10-12(8-14(13)21-2)18-15(22-16(10)19)9-5-3-4-6-11(9)17/h3-8H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>6.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of C1r serine protease				Bioorg Med Chem Lett 6: 679-682 (1996) Article DOI: 10.1016/0960-894X(96)00094-7 BindingDB Entry DOI: 10.7270/Q2P84BVF
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50289001 (2-(2-Iodo-phenyl)-6,7-dimethoxy-benzo[d][1,3]oxazi...) Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1I Show InChI InChI=1S/C16H12INO4/c1-20-13-7-10-12(8-14(13)21-2)18-15(22-16(10)19)9-5-3-4-6-11(9)17/h3-8H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>6.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against C1r serine protease				Bioorg Med Chem Lett 6: 679-682 (1996) Article DOI: 10.1016/0960-894X(96)00094-7 BindingDB Entry DOI: 10.7270/Q2P84BVF
					More data for this Ligand-Target Pair