BDBM50063745 2-(2-Iodo-phenylamino)-7-trifluoromethyl-benzo[d][1,3]oxazin-4-one::CHEMBL10312

SMILES: FC(F)(F)c1ccc2c(c1)nc(Nc1ccccc1I)oc2=O

InChI Key: InChIKey=PBKSJCYTPFAFGU-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50063745   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063745 (2-(2-Iodo-phenylamino)-7-trifluoromethyl-benzo[d][...) Show SMILES FC(F)(F)c1ccc2c(c1)nc(Nc1ccccc1I)oc2=O Show InChI InChI=1S/C15H8F3IN2O2/c16-15(17,18)8-5-6-9-12(7-8)21-14(23-13(9)22)20-11-4-2-1-3-10(11)19/h1-7H,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Compound was evaluated in vitro for inhibitory activity against purified human C1r protease 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))	BDBM50063745 (2-(2-Iodo-phenylamino)-7-trifluoromethyl-benzo[d][...) Show SMILES FC(F)(F)c1ccc2c(c1)nc(Nc1ccccc1I)oc2=O Show InChI InChI=1S/C15H8F3IN2O2/c16-15(17,18)8-5-6-9-12(7-8)21-14(23-13(9)22)20-11-4-2-1-3-10(11)19/h1-7H,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description 50% inhibition of human C1r serine protease after 60 mins using CbzGly-Arg-S-Bzl as substrate				J Med Chem 41: 1060-7 (1998) Article DOI: 10.1021/jm970394d BindingDB Entry DOI: 10.7270/Q2PZ57ZT
					More data for this Ligand-Target Pair
Complement C1r (Homo sapiens (Human))	BDBM50063745 (2-(2-Iodo-phenylamino)-7-trifluoromethyl-benzo[d][...) Show SMILES FC(F)(F)c1ccc2c(c1)nc(Nc1ccccc1I)oc2=O Show InChI InChI=1S/C15H8F3IN2O2/c16-15(17,18)8-5-6-9-12(7-8)21-14(23-13(9)22)20-11-4-2-1-3-10(11)19/h1-7H,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.00E+3	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
Trypsin (Bos taurus (bovine))	BDBM50063745 (2-(2-Iodo-phenylamino)-7-trifluoromethyl-benzo[d][...) Show SMILES FC(F)(F)c1ccc2c(c1)nc(Nc1ccccc1I)oc2=O Show InChI InChI=1S/C15H8F3IN2O2/c16-15(17,18)8-5-6-9-12(7-8)21-14(23-13(9)22)20-11-4-2-1-3-10(11)19/h1-7H,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Concentration of compound required to inhibit 50% trypsin derived from bovine pancreas				J Med Chem 41: 1060-7 (1998) Article DOI: 10.1021/jm970394d BindingDB Entry DOI: 10.7270/Q2PZ57ZT
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50063745 (2-(2-Iodo-phenylamino)-7-trifluoromethyl-benzo[d][...) Show SMILES FC(F)(F)c1ccc2c(c1)nc(Nc1ccccc1I)oc2=O Show InChI InChI=1S/C15H8F3IN2O2/c16-15(17,18)8-5-6-9-12(7-8)21-14(23-13(9)22)20-11-4-2-1-3-10(11)19/h1-7H,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro for inhibition of purified bovine trypsin.				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))	BDBM50063745 (2-(2-Iodo-phenylamino)-7-trifluoromethyl-benzo[d][...) Show SMILES FC(F)(F)c1ccc2c(c1)nc(Nc1ccccc1I)oc2=O Show InChI InChI=1S/C15H8F3IN2O2/c16-15(17,18)8-5-6-9-12(7-8)21-14(23-13(9)22)20-11-4-2-1-3-10(11)19/h1-7H,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate				J Med Chem 41: 1060-7 (1998) Article DOI: 10.1021/jm970394d BindingDB Entry DOI: 10.7270/Q2PZ57ZT
					More data for this Ligand-Target Pair