null

SMILES: COc1ccc2n(C)c(nc2c1)[C@H](CCCNC(=N)CF)NC(=O)c1cccc2CNC(=O)c12

InChI Key: InChIKey=KFIKEYZGNDJFAU-KRWDZBQOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50450897   

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-2 (Homo sapiens (Human))	BDBM50450897 (CHEMBL4202689) Show SMILES COc1ccc2n(C)c(nc2c1)[C@H](CCCNC(=N)CF)NC(=O)c1cccc2CNC(=O)c12 |r| Show InChI InChI=1S/C24H27FN6O3/c1-31-19-9-8-15(34-2)11-18(19)29-22(31)17(7-4-10-27-20(26)12-25)30-23(32)16-6-3-5-14-13-28-24(33)21(14)16/h3,5-6,8-9,11,17H,4,7,10,12-13H2,1-2H3,(H2,26,27)(H,28,33)(H,30,32)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Binding affinity to human PAD2 expressed in HEK293T cells assessed as decrease in histone H3 citrulination incubated for 3 hrs in presence of ionomyc...				J Med Chem 60: 3198-3211 (2017) Article DOI: 10.1021/acs.jmedchem.7b00274 BindingDB Entry DOI: 10.7270/Q2SN0CJ1
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-2 (Homo sapiens (Human))	BDBM50450897 (CHEMBL4202689) Show SMILES COc1ccc2n(C)c(nc2c1)[C@H](CCCNC(=N)CF)NC(=O)c1cccc2CNC(=O)c12 |r| Show InChI InChI=1S/C24H27FN6O3/c1-31-19-9-8-15(34-2)11-18(19)29-22(31)17(7-4-10-27-20(26)12-25)30-23(32)16-6-3-5-14-13-28-24(33)21(14)16/h3,5-6,8-9,11,17H,4,7,10,12-13H2,1-2H3,(H2,26,27)(H,28,33)(H,30,32)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Binding affinity to human PAD2 expressed in HEK293T cells assessed as protein occupancy preincubated for 15 mins followed by ionomycin addition measu...				J Med Chem 60: 3198-3211 (2017) Article DOI: 10.1021/acs.jmedchem.7b00274 BindingDB Entry DOI: 10.7270/Q2SN0CJ1
					More data for this Ligand-Target Pair