BDBM50420487 CHEMBL2086489
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)\C=C/Cl)cc1
InChI Key: InChIKey=HSJFIKQFCGIASR-HJWRWDBZSA-N
Data: 3 IC50
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-glutamine gamma-glutamyltransferase 2 (TG2) (Homo sapiens (Human)) | BDBM50420487 (CHEMBL2086489) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd. Curated by ChEMBL | Assay Description Inhibition of human recombinant TG2 by fluorescent transamidation assay | J Med Chem 55: 1021-46 (2012) Article DOI: 10.1021/jm201310y BindingDB Entry DOI: 10.7270/Q2CN7560 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transglutaminase-1 (TG1) (Homo sapiens (Human)) | BDBM50420487 (CHEMBL2086489) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd. Curated by ChEMBL | Assay Description Inhibition of human recombinant TG1 by fluorescent transamidation assay | J Med Chem 55: 1021-46 (2012) Article DOI: 10.1021/jm201310y BindingDB Entry DOI: 10.7270/Q2CN7560 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XIII (Homo sapiens (Human)) | BDBM50420487 (CHEMBL2086489) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 870 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd. Curated by ChEMBL | Assay Description Inhibition of thrombin activated human F13a by fluorescent transamidation assay | J Med Chem 55: 1021-46 (2012) Article DOI: 10.1021/jm201310y BindingDB Entry DOI: 10.7270/Q2CN7560 | |||||||||||
More data for this Ligand-Target Pair |