BDBM50241216 CHEMBL4079148

SMILES: CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCNC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1

InChI Key: InChIKey=ABYTXWHZRDCHFV-SANMLTNESA-N

Data: 1 KI

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 1 hit for monomerid = 50241216   

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))	BDBM50241216 (CHEMBL4079148) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCNC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H39N5O6S/c1-4-29(37)32-19-9-8-16-26(35-31(39)42-22-23-12-6-5-7-13-23)30(38)33-20-21-34-43(40,41)28-18-11-14-24-25(28)15-10-17-27(24)36(2)3/h4-7,10-15,17-18,26,34H,1,8-9,16,19-22H2,2-3H3,(H,32,37)(H,33,38)(H,35,39)/t26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ottawa Curated by ChEMBL					Assay Description Irreversible inhibition of human TG2 using AL5 as substrate by double reciprocal plot method				J Med Chem 60: 7910-7927 (2017) Article DOI: 10.1021/acs.jmedchem.7b01070 BindingDB Entry DOI: 10.7270/Q2CN7615
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