BDBM50420439 CHEMBL2089392

SMILES: C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CC[C@H](C1)NC(=O)OCc1ccccc1

InChI Key: InChIKey=DJMTYLNAGSTKIS-GOSISDBHSA-N

Data: 4 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 4 hits for monomerid = 50420439   

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 (Homo sapiens (Human))	BDBM50420439 (CHEMBL2089392) Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CC[C@H](C1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C21H23N3O5S/c1-2-20(25)22-17-8-10-19(11-9-17)30(27,28)24-13-12-18(14-24)23-21(26)29-15-16-6-4-3-5-7-16/h2-11,18H,1,12-15H2,(H,22,25)(H,23,26)/t18-/m1/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	500	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
Protein-glutamine gamma-glutamyltransferase K (Homo sapiens (Human))	BDBM50420439 (CHEMBL2089392) Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CC[C@H](C1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C21H23N3O5S/c1-2-20(25)22-17-8-10-19(11-9-17)30(27,28)24-13-12-18(14-24)23-21(26)29-15-16-6-4-3-5-7-16/h2-11,18H,1,12-15H2,(H,22,25)(H,23,26)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	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 A chain (Homo sapiens (Human))	BDBM50420439 (CHEMBL2089392) Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CC[C@H](C1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C21H23N3O5S/c1-2-20(25)22-17-8-10-19(11-9-17)30(27,28)24-13-12-18(14-24)23-21(26)29-15-16-6-4-3-5-7-16/h2-11,18H,1,12-15H2,(H,22,25)(H,23,26)/t18-/m1/s1	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	960	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 E (Homo sapiens (Human))	BDBM50420439 (CHEMBL2089392) Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CC[C@H](C1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C21H23N3O5S/c1-2-20(25)22-17-8-10-19(11-9-17)30(27,28)24-13-12-18(14-24)23-21(26)29-15-16-6-4-3-5-7-16/h2-11,18H,1,12-15H2,(H,22,25)(H,23,26)/t18-/m1/s1	PDB UniProtKB/SwissProt 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 TG3 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