BDBM50355658 CHEMBL1910973

SMILES: NC(=O)[C@H](CCCN=C(N)CF)NC(=O)c1ccccc1

InChI Key: InChIKey=OLFDULIIJWCYCK-NSHDSACASA-N

Data: 3 KI  4 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 7 hits for monomerid = 50355658   

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))	BDBM50355658 (CHEMBL1910973) Show SMILES NC(=O)[C@H](CCCN=C(N)CF)NC(=O)c1ccccc1 |r,w:7.6| Show InChI InChI=1S/C14H19FN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Irreversible inhibition of PAD1 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...				J Med Chem 54: 6919-35 (2011) Article DOI: 10.1021/jm2008985 BindingDB Entry DOI: 10.7270/Q24F1R4M
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-3 (Homo sapiens (Human))	BDBM50355658 (CHEMBL1910973) Show SMILES NC(=O)[C@H](CCCN=C(N)CF)NC(=O)c1ccccc1 |r,w:7.6| Show InChI InChI=1S/C14H19FN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.93E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Irreversible inhibition of PAD3 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...				J Med Chem 54: 6919-35 (2011) Article DOI: 10.1021/jm2008985 BindingDB Entry DOI: 10.7270/Q24F1R4M
					More data for this Ligand-Target Pair
protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50355658 (CHEMBL1910973) Show SMILES NC(=O)[C@H](CCCN=C(N)CF)NC(=O)c1ccccc1 |r,w:7.6| Show InChI InChI=1S/C14H19FN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Irreversible inhibition of PAD4 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...				J Med Chem 54: 6919-35 (2011) Article DOI: 10.1021/jm2008985 BindingDB Entry DOI: 10.7270/Q24F1R4M
					More data for this Ligand-Target Pair
protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50355658 (CHEMBL1910973) Show SMILES NC(=O)[C@H](CCCN=C(N)CF)NC(=O)c1ccccc1 |r,w:7.6| Show InChI InChI=1S/C14H19FN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/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	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Irreversible inhibition of PAD4 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...				J Med Chem 54: 6919-35 (2011) Article DOI: 10.1021/jm2008985 BindingDB Entry DOI: 10.7270/Q24F1R4M
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-3 (Homo sapiens (Human))	BDBM50355658 (CHEMBL1910973) Show SMILES NC(=O)[C@H](CCCN=C(N)CF)NC(=O)c1ccccc1 |r,w:7.6| Show InChI InChI=1S/C14H19FN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Irreversible inhibition of PAD3 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...				J Med Chem 54: 6919-35 (2011) Article DOI: 10.1021/jm2008985 BindingDB Entry DOI: 10.7270/Q24F1R4M
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-1 (Homo sapiens (Human))	BDBM50355658 (CHEMBL1910973) Show SMILES NC(=O)[C@H](CCCN=C(N)CF)NC(=O)c1ccccc1 |r,w:7.6| Show InChI InChI=1S/C14H19FN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Irreversible inhibition of PAD1 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...				J Med Chem 54: 6919-35 (2011) Article DOI: 10.1021/jm2008985 BindingDB Entry DOI: 10.7270/Q24F1R4M
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-2 (Homo sapiens (Human))	BDBM50355658 (CHEMBL1910973) Show SMILES NC(=O)[C@H](CCCN=C(N)CF)NC(=O)c1ccccc1 |r,w:7.6| Show InChI InChI=1S/C14H19FN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Irreversible inhibition of PAD2 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...				J Med Chem 54: 6919-35 (2011) Article DOI: 10.1021/jm2008985 BindingDB Entry DOI: 10.7270/Q24F1R4M
					More data for this Ligand-Target Pair