BDBM50420453 CHEMBL2086543

SMILES: C=CC(=O)Nc1ncc(cn1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1

InChI Key: InChIKey=ONNVHVICSXSMQR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50420453   

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
Coagulation factor XIII (Homo sapiens (Human))	BDBM50420453 (CHEMBL2086543) Show SMILES C=CC(=O)Nc1ncc(cn1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C19H21N5O5S/c1-2-17(25)22-18-20-12-16(13-21-18)30(27,28)24-10-8-23(9-11-24)19(26)29-14-15-6-4-3-5-7-15/h2-7,12-13H,1,8-11,14H2,(H,20,21,22,25)	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	>8.00E+4	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
Protein-glutamine gamma-glutamyltransferase 2 (TG2) (Homo sapiens (Human))	BDBM50420453 (CHEMBL2086543) Show SMILES C=CC(=O)Nc1ncc(cn1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C19H21N5O5S/c1-2-17(25)22-18-20-12-16(13-21-18)30(27,28)24-10-8-23(9-11-24)19(26)29-14-15-6-4-3-5-7-15/h2-7,12-13H,1,8-11,14H2,(H,20,21,22,25)	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	69	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))	BDBM50420453 (CHEMBL2086543) Show SMILES C=CC(=O)Nc1ncc(cn1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C19H21N5O5S/c1-2-17(25)22-18-20-12-16(13-21-18)30(27,28)24-10-8-23(9-11-24)19(26)29-14-15-6-4-3-5-7-15/h2-7,12-13H,1,8-11,14H2,(H,20,21,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+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