Compile Data Set for Download or QSAR

Found 159 hits with Last Name = 'pietsch' and Initial = 'm'   

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
Neutrophil elastase (Homo sapiens (Human))	BDBM50084235 (2-Diethylamino-benzo[4,5]thieno[2,3-d][1,3]oxazin-...) Show SMILES CCN(CC)c1nc2sc3ccccc3c2c(=O)o1 Show InChI InChI=1S/C14H14N2O2S/c1-3-16(4-2)14-15-12-11(13(17)18-14)9-7-5-6-8-10(9)19-12/h5-8H,3-4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Inhibitory activity of the compound was tested against human leukocyte elastase				J Med Chem 42: 5437-47 (2000) BindingDB Entry DOI: 10.7270/Q2K936RG
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50084232 (2-(diethylamino)-5-isopropyl-4H-thieno[2,3-d][1,3]...) Show SMILES CCN(CC)c1nc2scc(C(C)C)c2c(=O)o1 Show InChI InChI=1S/C13H18N2O2S/c1-5-15(6-2)13-14-11-10(12(16)17-13)9(7-18-11)8(3)4/h7-8H,5-6H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Inhibitory activity of the compound was tested against human leukocyte elastase				J Med Chem 42: 5437-47 (2000) BindingDB Entry DOI: 10.7270/Q2K936RG
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50084233 (2-Diethylamino-6,7-dihydro-5H-cyclopenta[4,5]thien...) Show SMILES CCN(CC)c1nc2sc3CCCc3c2c(=O)o1 Show InChI InChI=1S/C13H16N2O2S/c1-3-15(4-2)13-14-11-10(12(16)17-13)8-6-5-7-9(8)18-11/h3-7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Inhibitory activity of the compound was tested against human leukocyte elastase				J Med Chem 42: 5437-47 (2000) BindingDB Entry DOI: 10.7270/Q2K936RG
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50064308 (2-Diethylamino-5,6,7,8-tetrahydro-benzo[4,5]thieno...) Show SMILES CCN(CC)c1nc2sc3CCCCc3c2c(=O)o1 Show InChI InChI=1S/C14H18N2O2S/c1-3-16(4-2)14-15-12-11(13(17)18-14)9-7-5-6-8-10(9)19-12/h3-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Inhibitory activity of the compound was tested against human leukocyte elastase				J Med Chem 42: 5437-47 (2000) BindingDB Entry DOI: 10.7270/Q2K936RG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibitory activity AChE from Electrophorus electricus using ATCh substrate and DTNB by spectrophotometry				J Med Chem 48: 8270-88 (2005) Article DOI: 10.1021/jm0508639 BindingDB Entry DOI: 10.7270/Q2GQ6XB4
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50084234 (2-Diethylamino-6,7,8,9-tetrahydro-5H-3-oxa-10-thia...) Show SMILES CCN(CC)c1nc2sc3CCCCCc3c2c(=O)o1 Show InChI InChI=1S/C15H20N2O2S/c1-3-17(4-2)15-16-13-12(14(18)19-15)10-8-6-5-7-9-11(10)20-13/h3-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Inhibitory activity of the compound was tested against human leukocyte elastase				J Med Chem 42: 5437-47 (2000) BindingDB Entry DOI: 10.7270/Q2K936RG
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50084227 (2-(diethylamino)-5-methyl-4-oxo-4H-thieno[2,3-d][1...) Show SMILES CCN(CC)c1nc2sc(C(N)=O)c(C)c2c(=O)o1 Show InChI InChI=1S/C12H15N3O3S/c1-4-15(5-2)12-14-10-7(11(17)18-12)6(3)8(19-10)9(13)16/h4-5H2,1-3H3,(H2,13,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Inhibitory activity of the compound was tested against human leukocyte elastase				J Med Chem 42: 5437-47 (2000) BindingDB Entry DOI: 10.7270/Q2K936RG
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50084230 (2-Diethylamino-thieno[3,2-d][1,3]oxazin-4-one | CH...) Show SMILES CCN(CC)c1nc2ccsc2c(=O)o1 Show InChI InChI=1S/C10H12N2O2S/c1-3-12(4-2)10-11-7-5-6-15-8(7)9(13)14-10/h5-6H,3-4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Inhibitory activity of the compound was tested against human leukocyte elastase				J Med Chem 42: 5437-47 (2000) BindingDB Entry DOI: 10.7270/Q2K936RG
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50084229 (2-Diethylamino-5-methyl-5,6,7,8-tetrahydro-benzo[4...) Show SMILES CCN(CC)c1nc2sc3CCCC(C)c3c2c(=O)o1 Show InChI InChI=1S/C15H20N2O2S/c1-4-17(5-2)15-16-13-12(14(18)19-15)11-9(3)7-6-8-10(11)20-13/h9H,4-8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Inhibitory activity of the compound was tested against human leukocyte elastase				J Med Chem 42: 5437-47 (2000) BindingDB Entry DOI: 10.7270/Q2K936RG
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50084236 (2-Diethylamino-thieno[2,3-d][1,3]oxazin-4-one | CH...) Show SMILES CCN(CC)c1nc2sccc2c(=O)o1 Show InChI InChI=1S/C10H12N2O2S/c1-3-12(4-2)10-11-8-7(5-6-15-8)9(13)14-10/h5-6H,3-4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Inhibitory activity of the compound was tested against human leukocyte elastase				J Med Chem 42: 5437-47 (2000) BindingDB Entry DOI: 10.7270/Q2K936RG
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50084231 (2-Diethylamino-benzo[d][1,3]oxazin-4-one | CHEMBL3...) Show SMILES CCN(CC)c1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C12H14N2O2/c1-3-14(4-2)12-13-10-8-6-5-7-9(10)11(15)16-12/h5-8H,3-4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Inhibitory activity of the compound was tested against human leukocyte elastase				J Med Chem 42: 5437-47 (2000) BindingDB Entry DOI: 10.7270/Q2K936RG
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50084228 (2-(diethylamino)-5-methyl-4H-thieno[2,3-d][1,3]oxa...) Show SMILES CCN(CC)c1nc2scc(C)c2c(=O)o1 Show InChI InChI=1S/C11H14N2O2S/c1-4-13(5-2)11-12-9-8(10(14)15-11)7(3)6-16-9/h6H,4-5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Inhibitory activity of the compound was tested against human leukocyte elastase				J Med Chem 42: 5437-47 (2000) BindingDB Entry DOI: 10.7270/Q2K936RG
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50084233 (2-Diethylamino-6,7-dihydro-5H-cyclopenta[4,5]thien...) Show SMILES CCN(CC)c1nc2sc3CCCc3c2c(=O)o1 Show InChI InChI=1S/C13H16N2O2S/c1-3-15(4-2)13-14-11-10(12(16)17-13)8-6-5-7-9(8)18-11/h3-7H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibitory activity against bovine pancreatic CEase in presence of pNPB chromogenic substrate by spectrophotometry				J Med Chem 48: 8270-88 (2005) Article DOI: 10.1021/jm0508639 BindingDB Entry DOI: 10.7270/Q2GQ6XB4
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50179322 (6,7-dihydro-2-(dimethylamino)-4H,5H-cyclopenta[4,5...) Show SMILES CN(C)c1nc2sc3CCCc3c2c(=O)o1 Show InChI InChI=1S/C11H12N2O2S/c1-13(2)11-12-9-8(10(14)15-11)6-4-3-5-7(6)16-9/h3-5H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibitory activity against bovine pancreatic CEase in presence of pNPB chromogenic substrate by spectrophotometry				J Med Chem 48: 8270-88 (2005) Article DOI: 10.1021/jm0508639 BindingDB Entry DOI: 10.7270/Q2GQ6XB4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50179314 (5,6,7,8-tetrahydro-2-(dimethylamino)-7-(2-methyl-p...) Show SMILES CC(C)CN1CCc2c(C1)sc1nc(oc(=O)c21)N(C)C Show InChI InChI=1S/C15H21N3O2S/c1-9(2)7-18-6-5-10-11(8-18)21-13-12(10)14(19)20-15(16-13)17(3)4/h9H,5-8H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibitory activity AChE from Electrophorus electricus using ATCh substrate and DTNB by spectrophotometry				J Med Chem 48: 8270-88 (2005) Article DOI: 10.1021/jm0508639 BindingDB Entry DOI: 10.7270/Q2GQ6XB4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibitory activity AChE from Electrophorus electricus using ATCh substrate and DTNB by spectrophotometry				J Med Chem 48: 8270-88 (2005) Article DOI: 10.1021/jm0508639 BindingDB Entry DOI: 10.7270/Q2GQ6XB4
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50084229 (2-Diethylamino-5-methyl-5,6,7,8-tetrahydro-benzo[4...) Show SMILES CCN(CC)c1nc2sc3CCCC(C)c3c2c(=O)o1 Show InChI InChI=1S/C15H20N2O2S/c1-4-17(5-2)15-16-13-12(14(18)19-15)11-9(3)7-6-8-10(11)20-13/h9H,4-8H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibitory activity against bovine pancreatic CEase in presence of pNPB chromogenic substrate by spectrophotometry				J Med Chem 48: 8270-88 (2005) Article DOI: 10.1021/jm0508639 BindingDB Entry DOI: 10.7270/Q2GQ6XB4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50179312 (7-benzyl-5,6,7,8-tetrahydro-2-(dimethylamino)-4H-p...) Show SMILES CN(C)c1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)o1 Show InChI InChI=1S/C18H19N3O2S/c1-20(2)18-19-16-15(17(22)23-18)13-8-9-21(11-14(13)24-16)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibitory activity AChE from Electrophorus electricus using ATCh substrate and DTNB by spectrophotometry				J Med Chem 48: 8270-88 (2005) Article DOI: 10.1021/jm0508639 BindingDB Entry DOI: 10.7270/Q2GQ6XB4
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50064308 (2-Diethylamino-5,6,7,8-tetrahydro-benzo[4,5]thieno...) Show SMILES CCN(CC)c1nc2sc3CCCCc3c2c(=O)o1 Show InChI InChI=1S/C14H18N2O2S/c1-3-16(4-2)14-15-12-11(13(17)18-14)9-7-5-6-8-10(9)19-12/h3-8H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibitory activity against bovine pancreatic CEase in presence of pNPB chromogenic substrate by spectrophotometry				J Med Chem 48: 8270-88 (2005) Article DOI: 10.1021/jm0508639 BindingDB Entry DOI: 10.7270/Q2GQ6XB4
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50461625 (CHEMBL4228924) Show SMILES [O-][N+](=O)c1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1F |r| Show InChI InChI=1S/C26H31FN6O5/c1-2-24(34)28-13-6-5-10-21(29-25(35)18-19-8-3-4-9-20(19)27)26(36)32-16-14-31(15-17-32)22-11-7-12-23(30-22)33(37)38/h2-4,7-9,11-12,21H,1,5-6,10,13-18H2,(H,28,34)(H,29,35)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Irreversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay				J Med Chem 61: 4528-4560 (2018) Article DOI: 10.1021/acs.jmedchem.8b00286 BindingDB Entry DOI: 10.7270/Q2W66PC7
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50179331 (5,6,7,8-tetrahydro-2-(dimethylamino)-4H-benzo[4,5]...) Show SMILES CN(C)c1nc2sc3CCCCc3c2c(=O)o1 Show InChI InChI=1S/C12H14N2O2S/c1-14(2)12-13-10-9(11(15)16-12)7-5-3-4-6-8(7)17-10/h3-6H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibitory activity against bovine pancreatic CEase in presence of pNPB chromogenic substrate by spectrophotometry				J Med Chem 48: 8270-88 (2005) Article DOI: 10.1021/jm0508639 BindingDB Entry DOI: 10.7270/Q2GQ6XB4
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50461612 (CHEMBL4227301) Show SMILES [O-][N+](=O)c1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H32N6O5/c1-2-24(33)27-14-7-6-11-21(28-25(34)19-20-9-4-3-5-10-20)26(35)31-17-15-30(16-18-31)22-12-8-13-23(29-22)32(36)37/h2-5,8-10,12-13,21H,1,6-7,11,14-19H2,(H,27,33)(H,28,34)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Reversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay				J Med Chem 61: 4528-4560 (2018) Article DOI: 10.1021/acs.jmedchem.8b00286 BindingDB Entry DOI: 10.7270/Q2W66PC7
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50461615 (CHEMBL4228875) Show SMILES [O-][N+](=O)c1ccc(cn1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H32N6O5/c1-2-24(33)27-13-7-6-10-22(29-25(34)18-20-8-4-3-5-9-20)26(35)31-16-14-30(15-17-31)21-11-12-23(28-19-21)32(36)37/h2-5,8-9,11-12,19,22H,1,6-7,10,13-18H2,(H,27,33)(H,29,34)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Irreversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay				J Med Chem 61: 4528-4560 (2018) Article DOI: 10.1021/acs.jmedchem.8b00286 BindingDB Entry DOI: 10.7270/Q2W66PC7
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50461619 (CHEMBL4224727) Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C27H33N5O5/c1-2-25(33)28-15-7-6-10-24(29-26(34)20-21-8-4-3-5-9-21)27(35)31-18-16-30(17-19-31)22-11-13-23(14-12-22)32(36)37/h2-5,8-9,11-14,24H,1,6-7,10,15-20H2,(H,28,33)(H,29,34)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Irreversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay				J Med Chem 61: 4528-4560 (2018) Article DOI: 10.1021/acs.jmedchem.8b00286 BindingDB Entry DOI: 10.7270/Q2W66PC7
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50461617 (CHEMBL4229073) Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(CC1)c1ccncc1 |r| Show InChI InChI=1S/C26H33N5O3/c1-2-24(32)28-13-7-6-10-23(29-25(33)20-21-8-4-3-5-9-21)26(34)31-18-16-30(17-19-31)22-11-14-27-15-12-22/h2-5,8-9,11-12,14-15,23H,1,6-7,10,13,16-20H2,(H,28,32)(H,29,33)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Irreversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay				J Med Chem 61: 4528-4560 (2018) Article DOI: 10.1021/acs.jmedchem.8b00286 BindingDB Entry DOI: 10.7270/Q2W66PC7
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50461633 (CHEMBL4227896) Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(CC1)c1cccnc1 |r| Show InChI InChI=1S/C26H33N5O3/c1-2-24(32)28-14-7-6-12-23(29-25(33)19-21-9-4-3-5-10-21)26(34)31-17-15-30(16-18-31)22-11-8-13-27-20-22/h2-5,8-11,13,20,23H,1,6-7,12,14-19H2,(H,28,32)(H,29,33)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Irreversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay				J Med Chem 61: 4528-4560 (2018) Article DOI: 10.1021/acs.jmedchem.8b00286 BindingDB Entry DOI: 10.7270/Q2W66PC7
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50461610 (CHEMBL4227835) Show SMILES Ic1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H32IN5O3/c1-2-24(33)28-14-7-6-11-21(29-25(34)19-20-9-4-3-5-10-20)26(35)32-17-15-31(16-18-32)23-13-8-12-22(27)30-23/h2-5,8-10,12-13,21H,1,6-7,11,14-19H2,(H,28,33)(H,29,34)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Reversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay				J Med Chem 61: 4528-4560 (2018) Article DOI: 10.1021/acs.jmedchem.8b00286 BindingDB Entry DOI: 10.7270/Q2W66PC7
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50461626 (CHEMBL4228542) Show SMILES CC(C)(C)c1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C30H41N5O3/c1-5-27(36)31-17-10-9-14-24(32-28(37)22-23-12-7-6-8-13-23)29(38)35-20-18-34(19-21-35)26-16-11-15-25(33-26)30(2,3)4/h5-8,11-13,15-16,24H,1,9-10,14,17-22H2,2-4H3,(H,31,36)(H,32,37)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Reversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay				J Med Chem 61: 4528-4560 (2018) Article DOI: 10.1021/acs.jmedchem.8b00286 BindingDB Entry DOI: 10.7270/Q2W66PC7
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50179326 (2-(diethylamino)-5,6-dimethyl-4H-thieno[2,3-d][1,3...) Show SMILES CCN(CC)c1nc2sc(C)c(C)c2c(=O)o1 Show InChI InChI=1S/C12H16N2O2S/c1-5-14(6-2)12-13-10-9(11(15)16-12)7(3)8(4)17-10/h5-6H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibitory activity against bovine pancreatic CEase in presence of pNPB chromogenic substrate by spectrophotometry				J Med Chem 48: 8270-88 (2005) Article DOI: 10.1021/jm0508639 BindingDB Entry DOI: 10.7270/Q2GQ6XB4
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50461609 (CHEMBL4227328) Show SMILES Clc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H32ClN5O3/c1-2-24(33)28-14-7-6-11-21(29-25(34)19-20-9-4-3-5-10-20)26(35)32-17-15-31(16-18-32)23-13-8-12-22(27)30-23/h2-5,8-10,12-13,21H,1,6-7,11,14-19H2,(H,28,33)(H,29,34)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Reversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay				J Med Chem 61: 4528-4560 (2018) Article DOI: 10.1021/acs.jmedchem.8b00286 BindingDB Entry DOI: 10.7270/Q2W66PC7
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50461621 (CHEMBL4226871) Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1F |r| Show InChI InChI=1S/C27H34FN5O3/c1-3-25(34)29-14-7-6-12-23(31-26(35)19-21-10-4-5-11-22(21)28)27(36)33-17-15-32(16-18-33)24-13-8-9-20(2)30-24/h3-5,8-11,13,23H,1,6-7,12,14-19H2,2H3,(H,29,34)(H,31,35)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Irreversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay				J Med Chem 61: 4528-4560 (2018) Article DOI: 10.1021/acs.jmedchem.8b00286 BindingDB Entry DOI: 10.7270/Q2W66PC7
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50461622 (CHEMBL4228726) Show SMILES [O-][N+](=O)c1ccc(cn1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C26H31FN6O5/c1-2-24(34)28-12-4-3-5-22(30-25(35)17-19-6-8-20(27)9-7-19)26(36)32-15-13-31(14-16-32)21-10-11-23(29-18-21)33(37)38/h2,6-11,18,22H,1,3-5,12-17H2,(H,28,34)(H,30,35)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Irreversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay				J Med Chem 61: 4528-4560 (2018) Article DOI: 10.1021/acs.jmedchem.8b00286 BindingDB Entry DOI: 10.7270/Q2W66PC7
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50461620 (CHEMBL4228541) Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1cccs1 |r| Show InChI InChI=1S/C25H33N5O3S/c1-3-23(31)26-12-5-4-10-21(28-24(32)18-20-9-7-17-34-20)25(33)30-15-13-29(14-16-30)22-11-6-8-19(2)27-22/h3,6-9,11,17,21H,1,4-5,10,12-16,18H2,2H3,(H,26,31)(H,28,32)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Irreversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay				J Med Chem 61: 4528-4560 (2018) Article DOI: 10.1021/acs.jmedchem.8b00286 BindingDB Entry DOI: 10.7270/Q2W66PC7
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50461608 (CHEMBL4228671) Show SMILES Brc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H32BrN5O3/c1-2-24(33)28-14-7-6-11-21(29-25(34)19-20-9-4-3-5-10-20)26(35)32-17-15-31(16-18-32)23-13-8-12-22(27)30-23/h2-5,8-10,12-13,21H,1,6-7,11,14-19H2,(H,28,33)(H,29,34)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Reversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay				J Med Chem 61: 4528-4560 (2018) Article DOI: 10.1021/acs.jmedchem.8b00286 BindingDB Entry DOI: 10.7270/Q2W66PC7
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50179329 (2-morpholin-4-yl-5,6,7,8-tetrahydro-benzo[4,5]thie...) Show SMILES O=c1oc(nc2sc3CCCCc3c12)N1CCOCC1 Show InChI InChI=1S/C14H16N2O3S/c17-13-11-9-3-1-2-4-10(9)20-12(11)15-14(19-13)16-5-7-18-8-6-16/h1-8H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibitory activity against bovine pancreatic CEase in presence of pNPB chromogenic substrate by spectrophotometry				J Med Chem 48: 8270-88 (2005) Article DOI: 10.1021/jm0508639 BindingDB Entry DOI: 10.7270/Q2GQ6XB4
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50461635 (CHEMBL4228810) Show SMILES NC(=O)c1ccc(cn1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C27H34N6O4/c1-2-24(34)29-13-7-6-10-23(31-25(35)18-20-8-4-3-5-9-20)27(37)33-16-14-32(15-17-33)21-11-12-22(26(28)36)30-19-21/h2-5,8-9,11-12,19,23H,1,6-7,10,13-18H2,(H2,28,36)(H,29,34)(H,31,35)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Irreversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay				J Med Chem 61: 4528-4560 (2018) Article DOI: 10.1021/acs.jmedchem.8b00286 BindingDB Entry DOI: 10.7270/Q2W66PC7
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50400621 (CHEMBL2203451) Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C27H35N5O3/c1-3-25(33)28-15-8-7-13-23(30-26(34)20-22-11-5-4-6-12-22)27(35)32-18-16-31(17-19-32)24-14-9-10-21(2)29-24/h3-6,9-12,14,23H,1,7-8,13,15-20H2,2H3,(H,28,33)(H,30,34)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Reversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay				J Med Chem 61: 4528-4560 (2018) Article DOI: 10.1021/acs.jmedchem.8b00286 BindingDB Entry DOI: 10.7270/Q2W66PC7
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50179318 (2-dimethylamino-5,8-dihydro-4H,6H-thiopyrano[4',3'...) Show SMILES CN(C)c1nc2sc3CSCCc3c2c(=O)o1 Show InChI InChI=1S/C11H12N2O2S2/c1-13(2)11-12-9-8(10(14)15-11)6-3-4-16-5-7(6)17-9/h3-5H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibitory activity against bovine pancreatic CEase in presence of pNPB chromogenic substrate by spectrophotometry				J Med Chem 48: 8270-88 (2005) Article DOI: 10.1021/jm0508639 BindingDB Entry DOI: 10.7270/Q2GQ6XB4
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50084234 (2-Diethylamino-6,7,8,9-tetrahydro-5H-3-oxa-10-thia...) Show SMILES CCN(CC)c1nc2sc3CCCCCc3c2c(=O)o1 Show InChI InChI=1S/C15H20N2O2S/c1-3-17(4-2)15-16-13-12(14(18)19-15)10-8-6-5-7-9-11(10)20-13/h3-9H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibitory activity against bovine pancreatic CEase in presence of pNPB chromogenic substrate by spectrophotometry				J Med Chem 48: 8270-88 (2005) Article DOI: 10.1021/jm0508639 BindingDB Entry DOI: 10.7270/Q2GQ6XB4
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50461607 (CHEMBL4228168) Show SMILES Fc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H32FN5O3/c1-2-24(33)28-14-7-6-11-21(29-25(34)19-20-9-4-3-5-10-20)26(35)32-17-15-31(16-18-32)23-13-8-12-22(27)30-23/h2-5,8-10,12-13,21H,1,6-7,11,14-19H2,(H,28,33)(H,29,34)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Reversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay				J Med Chem 61: 4528-4560 (2018) Article DOI: 10.1021/acs.jmedchem.8b00286 BindingDB Entry DOI: 10.7270/Q2W66PC7
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50084232 (2-(diethylamino)-5-isopropyl-4H-thieno[2,3-d][1,3]...) Show SMILES CCN(CC)c1nc2scc(C(C)C)c2c(=O)o1 Show InChI InChI=1S/C13H18N2O2S/c1-5-15(6-2)13-14-11-10(12(16)17-13)9(7-18-11)8(3)4/h7-8H,5-6H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibitory activity against bovine pancreatic CEase in presence of pNPB chromogenic substrate by spectrophotometry				J Med Chem 48: 8270-88 (2005) Article DOI: 10.1021/jm0508639 BindingDB Entry DOI: 10.7270/Q2GQ6XB4
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50461630 (CHEMBL4225325) Show SMILES FC(F)(F)c1ccc(cn1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C27H32F3N5O3/c1-2-24(36)31-13-7-6-10-22(33-25(37)18-20-8-4-3-5-9-20)26(38)35-16-14-34(15-17-35)21-11-12-23(32-19-21)27(28,29)30/h2-5,8-9,11-12,19,22H,1,6-7,10,13-18H2,(H,31,36)(H,33,37)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Irreversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay				J Med Chem 61: 4528-4560 (2018) Article DOI: 10.1021/acs.jmedchem.8b00286 BindingDB Entry DOI: 10.7270/Q2W66PC7
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50461614 (CHEMBL4226594) Show SMILES OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CCN(CC)c1ccc2c(-c3ccccc3C(=O)N3CCC(CC3)C(=O)NCCCCCN)c3ccc(cc3oc2c1)=[N+](CC)CC |(18.44,-8.97,;17.12,-8.2,;17.12,-6.68,;15.79,-8.97,;14.47,-8.2,;15.79,-10.49,;14.47,-9.72,;30.48,-2.09,;29.16,-1.33,;29.16,.2,;27.84,-2.09,;26.52,-1.33,;27.84,-3.61,;26.52,-2.84,;44.76,-.97,;43.43,-1.75,;43.44,-3.3,;44.77,-4.06,;46.1,-3.29,;42.11,-4.07,;42.11,-5.62,;40.77,-6.39,;39.43,-5.62,;38.11,-6.39,;38.1,-7.93,;39.43,-8.69,;39.43,-10.23,;38.08,-11.01,;36.75,-10.23,;36.76,-8.69,;35.43,-7.91,;36.75,-7.13,;34.09,-8.67,;32.77,-7.89,;31.44,-8.65,;31.42,-10.19,;32.75,-10.97,;34.09,-10.21,;30.08,-10.95,;30.06,-12.49,;28.75,-10.16,;27.4,-10.93,;26.08,-10.14,;24.73,-10.9,;23.4,-10.11,;22.07,-10.87,;20.74,-10.09,;36.78,-5.61,;35.45,-6.37,;34.12,-5.59,;34.13,-4.06,;35.47,-3.31,;36.78,-4.07,;38.12,-3.32,;39.44,-4.08,;40.77,-3.31,;32.81,-3.28,;32.82,-1.74,;34.15,-.97,;31.47,-4.04,;30.14,-3.26,)| Show InChI InChI=1S/C39H51N5O3/c1-5-42(6-2)29-16-18-33-35(26-29)47-36-27-30(43(7-3)8-4)17-19-34(36)37(33)31-14-10-11-15-32(31)39(46)44-24-20-28(21-25-44)38(45)41-23-13-9-12-22-40/h10-11,14-19,26-28H,5-9,12-13,20-25,40H2,1-4H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Inhibition of human TGase 2 using R-I-Cad/DMC as substrate preincubated for 5 mins followed by substrate addition measured at 30 secs interval over 9...				J Med Chem 61: 4528-4560 (2018) Article DOI: 10.1021/acs.jmedchem.8b00286 BindingDB Entry DOI: 10.7270/Q2W66PC7
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50461616 (CHEMBL4224787) Show SMILES COC(=O)c1ccc(cn1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C28H35N5O5/c1-3-25(34)29-14-8-7-11-23(31-26(35)19-21-9-5-4-6-10-21)27(36)33-17-15-32(16-18-33)22-12-13-24(30-20-22)28(37)38-2/h3-6,9-10,12-13,20,23H,1,7-8,11,14-19H2,2H3,(H,29,34)(H,31,35)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Irreversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay				J Med Chem 61: 4528-4560 (2018) Article DOI: 10.1021/acs.jmedchem.8b00286 BindingDB Entry DOI: 10.7270/Q2W66PC7
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50461629 (CHEMBL4228146) Show SMILES FCCOc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C28H36FN5O4/c1-2-25(35)30-15-7-6-11-23(31-26(36)21-22-9-4-3-5-10-22)28(37)34-18-16-33(17-19-34)24-12-8-13-27(32-24)38-20-14-29/h2-5,8-10,12-13,23H,1,6-7,11,14-21H2,(H,30,35)(H,31,36)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Reversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay				J Med Chem 61: 4528-4560 (2018) Article DOI: 10.1021/acs.jmedchem.8b00286 BindingDB Entry DOI: 10.7270/Q2W66PC7
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50084235 (2-Diethylamino-benzo[4,5]thieno[2,3-d][1,3]oxazin-...) Show SMILES CCN(CC)c1nc2sc3ccccc3c2c(=O)o1 Show InChI InChI=1S/C14H14N2O2S/c1-3-16(4-2)14-15-12-11(13(17)18-14)9-7-5-6-8-10(9)19-12/h5-8H,3-4H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibitory activity against bovine pancreatic CEase in presence of pNPB chromogenic substrate by spectrophotometry				J Med Chem 48: 8270-88 (2005) Article DOI: 10.1021/jm0508639 BindingDB Entry DOI: 10.7270/Q2GQ6XB4
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50461618 (CHEMBL4225321) Show SMILES Cc1cccc(c1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C28H36N4O3/c1-3-26(33)29-15-8-7-14-25(30-27(34)21-23-11-5-4-6-12-23)28(35)32-18-16-31(17-19-32)24-13-9-10-22(2)20-24/h3-6,9-13,20,25H,1,7-8,14-19,21H2,2H3,(H,29,33)(H,30,34)/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Irreversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay				J Med Chem 61: 4528-4560 (2018) Article DOI: 10.1021/acs.jmedchem.8b00286 BindingDB Entry DOI: 10.7270/Q2W66PC7
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50461636 (CHEMBL4228357) Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C28H35FN4O3/c1-2-26(34)30-15-7-6-10-25(31-27(35)20-22-8-4-3-5-9-22)28(36)33-18-16-32(17-19-33)21-23-11-13-24(29)14-12-23/h2-5,8-9,11-14,25H,1,6-7,10,15-21H2,(H,30,34)(H,31,35)/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Irreversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay				J Med Chem 61: 4528-4560 (2018) Article DOI: 10.1021/acs.jmedchem.8b00286 BindingDB Entry DOI: 10.7270/Q2W66PC7
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50461624 (CHEMBL4226385) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C28H33N5O6/c1-2-25(34)29-15-7-6-10-24(30-26(35)20-21-8-4-3-5-9-21)28(37)32-18-16-31(17-19-32)27(36)22-11-13-23(14-12-22)33(38)39/h2-5,8-9,11-14,24H,1,6-7,10,15-20H2,(H,29,34)(H,30,35)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Irreversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay				J Med Chem 61: 4528-4560 (2018) Article DOI: 10.1021/acs.jmedchem.8b00286 BindingDB Entry DOI: 10.7270/Q2W66PC7
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50461611 (CHEMBL4226785) Show SMILES C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(CC1)c1cccc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C32H37N5O3/c1-2-30(38)33-19-10-9-16-28(35-31(39)24-25-12-5-3-6-13-25)32(40)37-22-20-36(21-23-37)29-18-11-17-27(34-29)26-14-7-4-8-15-26/h2-8,11-15,17-18,28H,1,9-10,16,19-24H2,(H,33,38)(H,35,39)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Reversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay				J Med Chem 61: 4528-4560 (2018) Article DOI: 10.1021/acs.jmedchem.8b00286 BindingDB Entry DOI: 10.7270/Q2W66PC7
					More data for this Ligand-Target Pair

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