BDBM50420459 CHEMBL2086528

SMILES: C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=NWFPBQYIKXKLNF-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50420459   

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
Transglutaminase-6 (TG6) (Homo sapiens (Human))	BDBM50420459 (CHEMBL2086528) Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:31:22:29:25.26.27,20:22:29:25.26.27,THB:31:26:23.22.30:29,27:26:23:30.28.29,27:28:23:25.31.26| Show InChI InChI=1S/C24H31N3O4S/c1-2-22(28)25-20-3-5-21(6-4-20)32(30,31)27-9-7-26(8-10-27)23(29)24-14-17-11-18(15-24)13-19(12-17)16-24/h2-6,17-19H,1,7-16H2,(H,25,28)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant TG6 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 2 (Mus musculus)	BDBM50420459 (CHEMBL2086528) Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:31:22:29:25.26.27,20:22:29:25.26.27,THB:31:26:23.22.30:29,27:26:23:30.28.29,27:28:23:25.31.26| Show InChI InChI=1S/C24H31N3O4S/c1-2-22(28)25-20-3-5-21(6-4-20)32(30,31)27-9-7-26(8-10-27)23(29)24-14-17-11-18(15-24)13-19(12-17)16-24/h2-6,17-19H,1,7-16H2,(H,25,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd. Curated by ChEMBL					Assay Description Inhibition of mouse 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 2 (TG2) (Homo sapiens (Human))	BDBM50420459 (CHEMBL2086528) Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:31:22:29:25.26.27,20:22:29:25.26.27,THB:31:26:23.22.30:29,27:26:23:30.28.29,27:28:23:25.31.26| Show InChI InChI=1S/C24H31N3O4S/c1-2-22(28)25-20-3-5-21(6-4-20)32(30,31)27-9-7-26(8-10-27)23(29)24-14-17-11-18(15-24)13-19(12-17)16-24/h2-6,17-19H,1,7-16H2,(H,25,28)	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	770	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd. Curated by ChEMBL					Assay Description Inhibition of human TG2 in HEK cells 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))	BDBM50420459 (CHEMBL2086528) Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:31:22:29:25.26.27,20:22:29:25.26.27,THB:31:26:23.22.30:29,27:26:23:30.28.29,27:28:23:25.31.26| Show InChI InChI=1S/C24H31N3O4S/c1-2-22(28)25-20-3-5-21(6-4-20)32(30,31)27-9-7-26(8-10-27)23(29)24-14-17-11-18(15-24)13-19(12-17)16-24/h2-6,17-19H,1,7-16H2,(H,25,28)	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	180	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-1 (TG1) (Homo sapiens (Human))	BDBM50420459 (CHEMBL2086528) Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:31:22:29:25.26.27,20:22:29:25.26.27,THB:31:26:23.22.30:29,27:26:23:30.28.29,27:28:23:25.31.26| Show InChI InChI=1S/C24H31N3O4S/c1-2-22(28)25-20-3-5-21(6-4-20)32(30,31)27-9-7-26(8-10-27)23(29)24-14-17-11-18(15-24)13-19(12-17)16-24/h2-6,17-19H,1,7-16H2,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	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
Transglutaminase-3 (TG3) (Homo sapiens (Human))	BDBM50420459 (CHEMBL2086528) Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:31:22:29:25.26.27,20:22:29:25.26.27,THB:31:26:23.22.30:29,27:26:23:30.28.29,27:28:23:25.31.26| Show InChI InChI=1S/C24H31N3O4S/c1-2-22(28)25-20-3-5-21(6-4-20)32(30,31)27-9-7-26(8-10-27)23(29)24-14-17-11-18(15-24)13-19(12-17)16-24/h2-6,17-19H,1,7-16H2,(H,25,28)	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
Protein-glutamine gamma-glutamyltransferase 2 (TG2) (Homo sapiens (Human))	BDBM50420459 (CHEMBL2086528) Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:31:22:29:25.26.27,20:22:29:25.26.27,THB:31:26:23.22.30:29,27:26:23:30.28.29,27:28:23:25.31.26| Show InChI InChI=1S/C24H31N3O4S/c1-2-22(28)25-20-3-5-21(6-4-20)32(30,31)27-9-7-26(8-10-27)23(29)24-14-17-11-18(15-24)13-19(12-17)16-24/h2-6,17-19H,1,7-16H2,(H,25,28)	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	10	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