Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50020709   

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 2 (Homo sapiens (Human))	BDBM50216771 ((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-4-c...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCNC(=O)C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C41H59N9O11/c1-24(2)21-29(40(59)50-20-8-13-32(50)38(57)48-30(41(60)61)22-25-9-4-3-5-10-25)47-36(55)27(16-18-44-34(53)23-51)45-37(56)31-12-7-19-49(31)39(58)28(14-15-33(42)52)46-35(54)26-11-6-17-43-26/h3-5,9-10,23-24,26-32,43H,6-8,11-22H2,1-2H3,(H2,42,52)(H,44,53)(H,45,56)(H,46,54)(H,47,55)(H,48,57)(H,60,61)/t26-,27-,28-,29-,30-,31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of human recombinant TG2				Bioorg Med Chem 15: 6253-61 (2007) Article DOI: 10.1016/j.bmc.2007.06.020 BindingDB Entry DOI: 10.7270/Q24Q7TQ3
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50216777 ((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-4-c...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(=O)C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C42H61N9O11/c1-25(2)22-30(41(60)51-21-9-15-33(51)39(58)49-31(42(61)62)23-26-10-4-3-5-11-26)48-37(56)28(13-7-19-45-35(54)24-52)46-38(57)32-14-8-20-50(32)40(59)29(16-17-34(43)53)47-36(55)27-12-6-18-44-27/h3-5,10-11,24-25,27-33,44H,6-9,12-23H2,1-2H3,(H2,43,53)(H,45,54)(H,46,57)(H,47,55)(H,48,56)(H,49,58)(H,61,62)/t27-,28-,29-,30-,31-,32-,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of human recombinant TG2				Bioorg Med Chem 15: 6253-61 (2007) Article DOI: 10.1016/j.bmc.2007.06.020 BindingDB Entry DOI: 10.7270/Q24Q7TQ3
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50216772 ((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-4-c...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CNC(=O)C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C40H57N9O11/c1-23(2)19-27(39(58)49-18-8-12-30(49)36(55)46-28(40(59)60)20-24-9-4-3-5-10-24)45-35(54)29(21-43-33(52)22-50)47-37(56)31-13-7-17-48(31)38(57)26(14-15-32(41)51)44-34(53)25-11-6-16-42-25/h3-5,9-10,22-23,25-31,42H,6-8,11-21H2,1-2H3,(H2,41,51)(H,43,52)(H,44,53)(H,45,54)(H,46,55)(H,47,56)(H,59,60)/t25-,26-,27-,28-,29-,30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of human recombinant TG2				Bioorg Med Chem 15: 6253-61 (2007) Article DOI: 10.1016/j.bmc.2007.06.020 BindingDB Entry DOI: 10.7270/Q24Q7TQ3
					More data for this Ligand-Target Pair