null

SMILES: CN(C)C\C=C\C(=O)N[C@@H]1CNC[C@@H](C1)NC(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1

InChI Key: InChIKey=YILCTIBWASNWOQ-HWGSQVGPSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 449865   

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 (Mus musculus)	BDBM449865 (US10703741, Compound I-8) Show SMILES CN(C)C\C=C\C(=O)N[C@@H]1CNC[C@@H](C1)NC(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1 Show InChI InChI=1S/C31H38N8O2/c1-37(2)13-5-7-28(40)34-23-16-24(18-32-17-23)35-31(41)22-10-11-26-25(14-22)36-30(38(26)3)27-15-21-6-4-12-33-29(21)39(27)19-20-8-9-20/h4-7,10-12,14-15,20,23-24,32H,8-9,13,16-19H2,1-3H3,(H,34,40)(H,35,41)/b7-5+/t23-,24+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padlock Therapeutics, Inc. US Patent					Assay Description Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				US Patent US10703741 (2020) BindingDB Entry DOI: 10.7270/Q2P55RJQ
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM449865 (US10703741, Compound I-8) Show SMILES CN(C)C\C=C\C(=O)N[C@@H]1CNC[C@@H](C1)NC(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1 Show InChI InChI=1S/C31H38N8O2/c1-37(2)13-5-7-28(40)34-23-16-24(18-32-17-23)35-31(41)22-10-11-26-25(14-22)36-30(38(26)3)27-15-21-6-4-12-33-29(21)39(27)19-20-8-9-20/h4-7,10-12,14-15,20,23-24,32H,8-9,13,16-19H2,1-3H3,(H,34,40)(H,35,41)/b7-5+/t23-,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padlock Therapeutics, Inc. US Patent					Assay Description Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				US Patent US10703741 (2020) BindingDB Entry DOI: 10.7270/Q2P55RJQ
					More data for this Ligand-Target Pair