BDBM50248824 CHEMBL4059499

SMILES: CC1(C)NC(=O)N(CCN2CCOCC2)C1=O

InChI Key: InChIKey=VKRGKSZHBAJNQO-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50248824   

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-1 (Homo sapiens (Human))	BDBM50248824 (CHEMBL4059499) Show SMILES CC1(C)NC(=O)N(CCN2CCOCC2)C1=O Show InChI InChI=1S/C11H19N3O3/c1-11(2)9(15)14(10(16)12-11)4-3-13-5-7-17-8-6-13/h3-8H2,1-2H3,(H,12,16)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	6.02E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of human PAD1 using BAEE as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by colorimetric assay				Bioorg Med Chem 25: 2643-2656 (2017) Article DOI: 10.1016/j.bmc.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HM5BW5
					More data for this Ligand-Target Pair
protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50248824 (CHEMBL4059499) Show SMILES CC1(C)NC(=O)N(CCN2CCOCC2)C1=O Show InChI InChI=1S/C11H19N3O3/c1-11(2)9(15)14(10(16)12-11)4-3-13-5-7-17-8-6-13/h3-8H2,1-2H3,(H,12,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.43E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PAD4 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethylester ...				Bioorg Med Chem 25: 2643-2656 (2017) Article DOI: 10.1016/j.bmc.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HM5BW5
					More data for this Ligand-Target Pair