BDBM50420500 CHEMBL2086502

SMILES: Fc1cc(ccc1NC(=O)C=C)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1

InChI Key: InChIKey=HRHWWFULDGQDHN-UHFFFAOYSA-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 = 50420500   

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))	BDBM50420500 (CHEMBL2086502) Show SMILES Fc1cc(ccc1NC(=O)C=C)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C21H22FN3O5S/c1-2-20(26)23-19-9-8-17(14-18(19)22)31(28,29)25-12-10-24(11-13-25)21(27)30-15-16-6-4-3-5-7-16/h2-9,14H,1,10-13,15H2,(H,23,26)	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	1.30E+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 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
Coagulation factor XIII (Homo sapiens (Human))	BDBM50420500 (CHEMBL2086502) Show SMILES Fc1cc(ccc1NC(=O)C=C)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C21H22FN3O5S/c1-2-20(26)23-19-9-8-17(14-18(19)22)31(28,29)25-12-10-24(11-13-25)21(27)30-15-16-6-4-3-5-7-16/h2-9,14H,1,10-13,15H2,(H,23,26)	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	1.60E+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
Transglutaminase-3 (TG3) (Homo sapiens (Human))	BDBM50420500 (CHEMBL2086502) Show SMILES Fc1cc(ccc1NC(=O)C=C)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C21H22FN3O5S/c1-2-20(26)23-19-9-8-17(14-18(19)22)31(28,29)25-12-10-24(11-13-25)21(27)30-15-16-6-4-3-5-7-16/h2-9,14H,1,10-13,15H2,(H,23,26)	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
Transglutaminase-1 (TG1) (Homo sapiens (Human))	BDBM50420500 (CHEMBL2086502) Show SMILES Fc1cc(ccc1NC(=O)C=C)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C21H22FN3O5S/c1-2-20(26)23-19-9-8-17(14-18(19)22)31(28,29)25-12-10-24(11-13-25)21(27)30-15-16-6-4-3-5-7-16/h2-9,14H,1,10-13,15H2,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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