Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein-arginine deiminase type-4' and Ligand = 'BDBM50581617'   

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
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50581617 (CHEMBL5093574) Show SMILES [H][C@@]12CC[C@@]([H])(C1)N(C[C@@H]2N)C(=O)c1cc(F)c2n(C3CC3)c(nc2c1)-c1cc2ccc3nc2n1CCCCCc1nc(C)ccc1C(=O)NC3C |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PAD4 using BAEE as substrate incubated for 30 mins by spectrophotometric based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00689 BindingDB Entry DOI: 10.7270/Q2251P12
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