Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Complement C1r subcomponent' and Ligand = 'BDBM50075991'   

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))	BDBM50075991 (3-Chloro-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-...) Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C15H11ClN2O4S/c1-18(23(20,21)11-6-4-5-10(16)9-11)15-17-13-8-3-2-7-12(13)14(19)22-15/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro inhibition of purified human C1r protease.				Bioorg Med Chem Lett 9: 815-20 (1999) BindingDB Entry DOI: 10.7270/Q29G5M0K
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50075991 (3-Chloro-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-...) Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C15H11ClN2O4S/c1-18(23(20,21)11-6-4-5-10(16)9-11)15-17-13-8-3-2-7-12(13)14(19)22-15/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Evaluated in vitro for inhibitory activity against purified human C1r protease incubated in buffer for 60 minutes				Bioorg Med Chem Lett 9: 815-20 (1999) BindingDB Entry DOI: 10.7270/Q29G5M0K
					More data for this Ligand-Target Pair