Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50016042   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Protein-glutamine gamma-glutamyltransferase K (Homo sapiens (Human))	BDBM50164227 (5-Methyl-2-(2-oxo-propylsulfanyl)-thiazolo[2,3-b][...) Show SMILES CC(=O)CSc1n[n+]2c(C)csc2s1 Show InChI InChI=1S/C8H9N2OS3/c1-5-3-13-8-10(5)9-7(14-8)12-4-6(2)11/h3H,4H2,1-2H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Apotex Research Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against guinea pig liver transglutaminase				J Med Chem 48: 2266-9 (2005) Article DOI: 10.1021/jm049221w BindingDB Entry DOI: 10.7270/Q2R210XM
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K (Homo sapiens (Human))	BDBM50164216 (CHEMBL190022 | N-[6-(Imidazo[1,2-d][1,2,4]thiadiaz...) Show SMILES CN(CCCCCCNS(=O)(=O)c1ccccc1[N+]([O-])=O)c1n[s+]c2[n-]ccn12 Show InChI InChI=1S/C17H22N6O4S2/c1-21(16-20-28-17-18-11-13-22(16)17)12-7-3-2-6-10-19-29(26,27)15-9-5-4-8-14(15)23(24)25/h4-5,8-9,11,13,19H,2-3,6-7,10,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Apotex Research Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against guinea pig liver transglutaminase				J Med Chem 48: 2266-9 (2005) Article DOI: 10.1021/jm049221w BindingDB Entry DOI: 10.7270/Q2R210XM
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K (Homo sapiens (Human))	BDBM50164222 (CHEMBL193212 | N-[6-(Imidazo[1,2-d][1,2,4]thiadiaz...) Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)NCCCCCCNc1n[s+]c2[n-]ccn12 Show InChI InChI=1S/C16H20N6O4S2/c23-22(24)13-7-3-4-8-14(13)28(25,26)19-10-6-2-1-5-9-17-15-20-27-16-18-11-12-21(15)16/h3-4,7-8,11-12,19H,1-2,5-6,9-10H2,(H,17,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Apotex Research Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against guinea pig liver transglutaminase				J Med Chem 48: 2266-9 (2005) Article DOI: 10.1021/jm049221w BindingDB Entry DOI: 10.7270/Q2R210XM
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K (Homo sapiens (Human))	BDBM50164224 (CHEMBL192921 | {Imidazo[1,2-d][1,2,4]thiadiazol-3-...) Show SMILES OC(=O)CN(CCCCCCNS(=O)(=O)c1ccccc1[N+]([O-])=O)c1n[s+]c2[n-]ccn12 Show InChI InChI=1S/C18H22N6O6S2/c25-16(26)13-22(17-21-31-18-19-10-12-23(17)18)11-6-2-1-5-9-20-32(29,30)15-8-4-3-7-14(15)24(27)28/h3-4,7-8,10,12,20H,1-2,5-6,9,11,13H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Apotex Research Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against guinea pig liver transglutaminase				J Med Chem 48: 2266-9 (2005) Article DOI: 10.1021/jm049221w BindingDB Entry DOI: 10.7270/Q2R210XM
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase K (Homo sapiens (Human))	BDBM50164223 (2-{Imidazo[1,2-d][1,2,4]thiadiazol-3-yl-[6-(2-nitr...) Show SMILES NC(=O)CN(CCCCCCNS(=O)(=O)c1ccccc1[N+]([O-])=O)c1n[s+]c2[n-]ccn12 Show InChI InChI=1S/C18H23N7O5S2/c19-16(26)13-23(17-22-31-18-20-10-12-24(17)18)11-6-2-1-5-9-21-32(29,30)15-8-4-3-7-14(15)25(27)28/h3-4,7-8,10,12,21H,1-2,5-6,9,11,13H2,(H2,19,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Apotex Research Inc. Curated by ChEMBL					Assay Description Inhibitory concentration against guinea pig liver transglutaminase				J Med Chem 48: 2266-9 (2005) Article DOI: 10.1021/jm049221w BindingDB Entry DOI: 10.7270/Q2R210XM
					More data for this Ligand-Target Pair