null

SMILES: CC(C)NC(=O)[C@H](CCN1CCN(C)CC1)NC(=O)c1ccco1

InChI Key: InChIKey=IAMFZBVVYSMZDZ-AWEZNQCLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 454165   

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))	BDBM454165 (BDBM50246195 | US10716791, Code KP-289) Show SMILES CC(C)NC(=O)[C@H](CCN1CCN(C)CC1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C17H28N4O3/c1-13(2)18-16(22)14(19-17(23)15-5-4-12-24-15)6-7-21-10-8-20(3)9-11-21/h4-5,12-14H,6-11H2,1-3H3,(H,18,22)(H,19,23)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.88E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD4 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM454165 (BDBM50246195 | US10716791, Code KP-289) Show SMILES CC(C)NC(=O)[C@H](CCN1CCN(C)CC1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C17H28N4O3/c1-13(2)18-16(22)14(19-17(23)15-5-4-12-24-15)6-7-21-10-8-20(3)9-11-21/h4-5,12-14H,6-11H2,1-3H3,(H,18,22)(H,19,23)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.88E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network US Patent					Assay Description Materials: PAD1, PAD2, PAD3 and PAD4 were purchased from commercial sources. Assay buffer: 50 mM Tris pH 7.5, 100 mM NaCl, 10 mM CaCl2, 5 mM DTT. Col...				US Patent US10716791 (2020)
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-2 (Mus musculus)	BDBM454165 (BDBM50246195 | US10716791, Code KP-289) Show SMILES CC(C)NC(=O)[C@H](CCN1CCN(C)CC1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C17H28N4O3/c1-13(2)18-16(22)14(19-17(23)15-5-4-12-24-15)6-7-21-10-8-20(3)9-11-21/h4-5,12-14H,6-11H2,1-3H3,(H,18,22)(H,19,23)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.79E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network US Patent					Assay Description Materials: PAD1, PAD2, PAD3 and PAD4 were purchased from commercial sources. Assay buffer: 50 mM Tris pH 7.5, 100 mM NaCl, 10 mM CaCl2, 5 mM DTT. Col...				US Patent US10716791 (2020)
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-2 (Mus musculus)	BDBM454165 (BDBM50246195 | US10716791, Code KP-289) Show SMILES CC(C)NC(=O)[C@H](CCN1CCN(C)CC1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C17H28N4O3/c1-13(2)18-16(22)14(19-17(23)15-5-4-12-24-15)6-7-21-10-8-20(3)9-11-21/h4-5,12-14H,6-11H2,1-3H3,(H,18,22)(H,19,23)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.84E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length mouse GST-tagged PAD2 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair