BDBM50400618 CHEMBL2203477

SMILES: OC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1

InChI Key: InChIKey=TXGDHOVGNMTCSP-AWEZNQCLSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50400618   

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))	BDBM50400618 (CHEMBL2203477) Show SMILES OC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C17H22N2O5/c1-2-15(20)18-11-7-6-10-14(16(21)22)19-17(23)24-12-13-8-4-3-5-9-13/h2-5,8-9,14H,1,6-7,10-12H2,(H,18,20)(H,19,23)(H,21,22)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.03E+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 colorimetric assay				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
Protein-glutamine gamma-glutamyltransferase 2 (TG2) (Homo sapiens (Human))	BDBM50400618 (CHEMBL2203477) Show SMILES OC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C17H22N2O5/c1-2-15(20)18-11-7-6-10-14(16(21)22)19-17(23)24-12-13-8-4-3-5-9-13/h2-5,8-9,14H,1,6-7,10-12H2,(H,18,20)(H,19,23)(H,21,22)/t14-/m0/s1	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	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Irreversible inhibition of transglutaminase 2				ACS Med Chem Lett 3: 1024-1028 (2012) Article DOI: 10.1021/ml300241m BindingDB Entry DOI: 10.7270/Q2TB1823
					More data for this Ligand-Target Pair