null
SMILES: O=C(NCc1ccccc1)[C@H](CCn1ccnn1)NC(=O)c1ccco1
InChI Key: InChIKey=TXMQCACEIZKFMD-HNNXBMFYSA-N
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 (Mus musculus) | BDBM50246193 (CHEMBL4061099) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 2.82E+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 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 | |||||||||||||
Protein-arginine deiminase type-1 (Homo sapiens (Human)) | BDBM50246193 (CHEMBL4061099) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.09E+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 human GST-tagged PAD1 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)) | BDBM50246193 (CHEMBL4061099) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 2.82E+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 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 |