BDBM50241246 CHEMBL4089771

SMILES: CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCCNC(=O)C=C)NC(=O)OCc1ccccc1

InChI Key: InChIKey=MGDFIQDKDZNGBA-MHZLTWQESA-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 = 50241246   

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))	BDBM50241246 (CHEMBL4089771) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C32H39N5O6S/c1-4-30(38)33-18-10-15-27(34-32(40)43-23-24-11-6-5-7-12-24)31(39)36-19-21-37(22-20-36)44(41,42)29-17-9-13-25-26(29)14-8-16-28(25)35(2)3/h4-9,11-14,16-17,27H,1,10,15,18-23H2,2-3H3,(H,33,38)(H,34,40)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.77E+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
					More data for this Ligand-Target Pair