BDBM50355673 CHEMBL1910985

SMILES: NC(CF)=NCCC[C@H](NC(=O)c1cnc[nH]1)C(N)=O

InChI Key: InChIKey=SNBPARNTIPIAEU-ZETCQYMHSA-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 = 50355673   

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))	BDBM50355673 (CHEMBL1910985) Show SMILES NC(CF)=NCCC[C@H](NC(=O)c1cnc[nH]1)C(N)=O |r,w:4.4| Show InChI InChI=1S/C11H17FN6O2/c12-4-9(13)16-3-1-2-7(10(14)19)18-11(20)8-5-15-6-17-8/h5-7H,1-4H2,(H2,13,16)(H2,14,19)(H,15,17)(H,18,20)/t7-/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	2.30E+5	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