BDBM50204599 CHEMBL3939919

SMILES: CCn1c(cc2ccccc12)-c1nc2cc(cc(OC)c2n1C)C(=O)N1CCC[C@@H](N)C1

InChI Key: InChIKey=JQGQSIFPSQABNF-GOSISDBHSA-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 = 50204599   

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))	BDBM50204599 (CHEMBL3939919) Show SMILES CCn1c(cc2ccccc12)-c1nc2cc(cc(OC)c2n1C)C(=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C25H29N5O2/c1-4-30-20-10-6-5-8-16(20)13-21(30)24-27-19-12-17(14-22(32-3)23(19)28(24)2)25(31)29-11-7-9-18(26)15-29/h5-6,8,10,12-14,18H,4,7,9,11,15,26H2,1-3H3/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PAD4 (1 to 663 residues) expressed in Escherichia coli using N-a-benzoyl-L-arginine ethyl ester as substra...				ACS Med Chem Lett 8: 19-21 (2017) Article DOI: 10.1021/acsmedchemlett.6b00515 BindingDB Entry DOI: 10.7270/Q20V8FSZ
					More data for this Ligand-Target Pair