BDBM50355668 CHEMBL1910986

SMILES: NC(CF)=NCCC[C@H](NC(=O)c1cc[nH]c1)C(N)=O

InChI Key: InChIKey=SPEHNMIVJCEDKE-VIFPVBQESA-N

Data: 1 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 1 hit for monomerid = 50355668   

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
protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50355668 (CHEMBL1910986) Show SMILES NC(CF)=NCCC[C@H](NC(=O)c1cc[nH]c1)C(N)=O |r,w:4.4| Show InChI InChI=1S/C12H18FN5O2/c13-6-10(14)17-4-1-2-9(11(15)19)18-12(20)8-3-5-16-7-8/h3,5,7,9,16H,1-2,4,6H2,(H2,14,17)(H2,15,19)(H,18,20)/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Irreversible inhibition of PAD4 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...				J Med Chem 54: 6919-35 (2011) Article DOI: 10.1021/jm2008985 BindingDB Entry DOI: 10.7270/Q24F1R4M
					More data for this Ligand-Target Pair