Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'watts' and Initial = 're'   

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))	BDBM50200152 (CHEMBL219427 | quinolin-3-ylmethyl (S)-1-(((S)-3-b...) Show SMILES Fc1ccc2[nH]cc(C[C@H](NC(=O)OCc3cnc4ccccc4c3)C(=O)NC[C@@H]3CC(Br)=NO3)c2c1 |r,c:34| Show InChI InChI=1S/C26H23BrFN5O4/c27-24-10-19(37-33-24)13-31-25(34)23(8-17-12-30-22-6-5-18(28)9-20(17)22)32-26(35)36-14-15-7-16-3-1-2-4-21(16)29-11-15/h1-7,9,11-12,19,23,30H,8,10,13-14H2,(H,31,34)(H,32,35)/t19-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30E+3	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 expressed in Escherichia coli				J Med Chem 49: 7493-501 (2006) Article DOI: 10.1021/jm060839a BindingDB Entry DOI: 10.7270/Q2280771
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50200155 ((S)-quinolin-3-ylmethyl 1-((3-bromo-4,5-dihydroiso...) Show SMILES Fc1ccc2[nH]cc(C[C@H](NC(=O)OCc3cnc4ccccc4c3)C(=O)NCC3CC(Br)=NO3)c2c1 |r,c:34| Show InChI InChI=1S/C26H23BrFN5O4/c27-24-10-19(37-33-24)13-31-25(34)23(8-17-12-30-22-6-5-18(28)9-20(17)22)32-26(35)36-14-15-7-16-3-1-2-4-21(16)29-11-15/h1-7,9,11-12,19,23,30H,8,10,13-14H2,(H,31,34)(H,32,35)/t19?,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	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 expressed in Escherichia coli				J Med Chem 49: 7493-501 (2006) Article DOI: 10.1021/jm060839a BindingDB Entry DOI: 10.7270/Q2280771
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50200156 ((S)-quinolin-3-ylmethyl 2-((((S)-3-bromo-4,5-dihyd...) Show SMILES BrC1=NO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OCc2cnc3ccccc3c2)C1 |r,t:1| Show InChI InChI=1S/C20H21BrN4O4/c21-18-9-15(29-24-18)11-23-19(26)17-6-3-7-25(17)20(27)28-12-13-8-14-4-1-2-5-16(14)22-10-13/h1-2,4-5,8,10,15,17H,3,6-7,9,11-12H2,(H,23,26)/t15-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10E+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 expressed in Escherichia coli				J Med Chem 49: 7493-501 (2006) Article DOI: 10.1021/jm060839a BindingDB Entry DOI: 10.7270/Q2280771
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50200154 (CHEMBL220137 | [1-[(3-bromo-4,5-dihydroisoxazol-5-...) Show SMILES Fc1ccc2c(CC(NC(=O)OCc3ccccc3)C(=O)NCC3CC(Br)=NO3)c[nH]c2c1 |c:27| Show InChI InChI=1S/C23H22BrFN4O4/c24-21-10-17(33-29-21)12-27-22(30)20(28-23(31)32-13-14-4-2-1-3-5-14)8-15-11-26-19-9-16(25)6-7-18(15)19/h1-7,9,11,17,20,26H,8,10,12-13H2,(H,27,30)(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+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 expressed in Escherichia coli				J Med Chem 49: 7493-501 (2006) Article DOI: 10.1021/jm060839a BindingDB Entry DOI: 10.7270/Q2280771
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50200145 (CHEMBL375426 | quinolin-3-ylmethyl 1-((3-bromo-4,5...) Show SMILES Fc1ccc2[nH]cc(CC(NC(=O)OCc3cnc4ccccc4c3)C(=O)NCC3CC(Br)=NO3)c2c1 |c:34| Show InChI InChI=1S/C26H23BrFN5O4/c27-24-10-19(37-33-24)13-31-25(34)23(8-17-12-30-22-6-5-18(28)9-20(17)22)32-26(35)36-14-15-7-16-3-1-2-4-21(16)29-11-15/h1-7,9,11-12,19,23,30H,8,10,13-14H2,(H,31,34)(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+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 expressed in Escherichia coli				J Med Chem 49: 7493-501 (2006) Article DOI: 10.1021/jm060839a BindingDB Entry DOI: 10.7270/Q2280771
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50200149 (CHEMBL219013 | [1-[(3-bromo-4,5-dihydroisoxazol-5-...) Show SMILES Fc1ccc2[nH]cc(CC(NC(=O)OCc3ccccc3)C(=O)NCC3CC(Br)=NO3)c2c1 |c:29| Show InChI InChI=1S/C23H22BrFN4O4/c24-21-10-17(33-29-21)12-27-22(30)20(28-23(31)32-13-14-4-2-1-3-5-14)8-15-11-26-19-7-6-16(25)9-18(15)19/h1-7,9,11,17,20,26H,8,10,12-13H2,(H,27,30)(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+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 expressed in Escherichia coli				J Med Chem 49: 7493-501 (2006) Article DOI: 10.1021/jm060839a BindingDB Entry DOI: 10.7270/Q2280771
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50200147 (CHEMBL410077 | [1-[(3-bromo-4,5-dihydroisoxazol-5-...) Show SMILES BrC1=NOC(CNC(=O)C(Cc2c[nH]c3ncccc23)NC(=O)OCc2ccccc2)C1 |t:1| Show InChI InChI=1S/C22H22BrN5O4/c23-19-10-16(32-28-19)12-26-21(29)18(9-15-11-25-20-17(15)7-4-8-24-20)27-22(30)31-13-14-5-2-1-3-6-14/h1-8,11,16,18H,9-10,12-13H2,(H,24,25)(H,26,29)(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+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 expressed in Escherichia coli				J Med Chem 49: 7493-501 (2006) Article DOI: 10.1021/jm060839a BindingDB Entry DOI: 10.7270/Q2280771
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50200151 (CHEMBL374790 | quinolin-3-ylmethyl (S)-1-(((S)-3-b...) Show SMILES Oc1ccc(C[C@H](NC(=O)OCc2cnc3ccccc3c2)C(=O)NC[C@@H]2CC(Br)=NO2)cc1 |r,c:31| Show InChI InChI=1S/C24H23BrN4O5/c25-22-11-19(34-29-22)13-27-23(31)21(10-15-5-7-18(30)8-6-15)28-24(32)33-14-16-9-17-3-1-2-4-20(17)26-12-16/h1-9,12,19,21,30H,10-11,13-14H2,(H,27,31)(H,28,32)/t19-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.00E+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 expressed in Escherichia coli				J Med Chem 49: 7493-501 (2006) Article DOI: 10.1021/jm060839a BindingDB Entry DOI: 10.7270/Q2280771
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50200153 (CHEMBL384892 | quinolin-3-ylmethyl 1-((3-bromo-4,5...) Show SMILES Oc1ccc2[nH]cc(CC(NC(=O)OCc3cnc4ccccc4c3)C(=O)NCC3CC(Br)=NO3)c2c1 |c:34| Show InChI InChI=1S/C26H24BrN5O5/c27-24-10-19(37-32-24)13-30-25(34)23(8-17-12-29-22-6-5-18(33)9-20(17)22)31-26(35)36-14-15-7-16-3-1-2-4-21(16)28-11-15/h1-7,9,11-12,19,23,29,33H,8,10,13-14H2,(H,30,34)(H,31,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+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 expressed in Escherichia coli				J Med Chem 49: 7493-501 (2006) Article DOI: 10.1021/jm060839a BindingDB Entry DOI: 10.7270/Q2280771
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50200159 ((S)-quinolin-3-ylmethyl 1-((3-bromo-4,5-dihydroiso...) Show SMILES Oc1ccc(C[C@H](NC(=O)OCc2cnc3ccccc3c2)C(=O)NCC2CC(Br)=NO2)cc1 |r,c:31| Show InChI InChI=1S/C24H23BrN4O5/c25-22-11-19(34-29-22)13-27-23(31)21(10-15-5-7-18(30)8-6-15)28-24(32)33-14-16-9-17-3-1-2-4-20(17)26-12-16/h1-9,12,19,21,30H,10-11,13-14H2,(H,27,31)(H,28,32)/t19?,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10E+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 expressed in Escherichia coli				J Med Chem 49: 7493-501 (2006) Article DOI: 10.1021/jm060839a BindingDB Entry DOI: 10.7270/Q2280771
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50200146 (CHEMBL216391 | quinolin-3-ylmethyl 1-((3-bromo-4,5...) Show SMILES COc1ccc2[nH]cc(CC(NC(=O)OCc3cnc4ccccc4c3)C(=O)NCC3CC(Br)=NO3)c2c1 |c:35| Show InChI InChI=1S/C27H26BrN5O5/c1-36-19-6-7-23-21(10-19)18(13-30-23)9-24(26(34)31-14-20-11-25(28)33-38-20)32-27(35)37-15-16-8-17-4-2-3-5-22(17)29-12-16/h2-8,10,12-13,20,24,30H,9,11,14-15H2,1H3,(H,31,34)(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10E+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 expressed in Escherichia coli				J Med Chem 49: 7493-501 (2006) Article DOI: 10.1021/jm060839a BindingDB Entry DOI: 10.7270/Q2280771
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50200157 ((S)-quinolin-3-ylmethyl 2-(((3-bromo-4,5-dihydrois...) Show SMILES BrC1=NOC(CNC(=O)N2CCC[C@H]2C(=O)OCc2ccc3ccccc3n2)C1 |r,t:1| Show InChI InChI=1S/C20H21BrN4O4/c21-18-10-15(29-24-18)11-22-20(27)25-9-3-6-17(25)19(26)28-12-14-8-7-13-4-1-2-5-16(13)23-14/h1-2,4-5,7-8,15,17H,3,6,9-12H2,(H,22,27)/t15?,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.20E+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 expressed in Escherichia coli				J Med Chem 49: 7493-501 (2006) Article DOI: 10.1021/jm060839a BindingDB Entry DOI: 10.7270/Q2280771
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50200148 (CHEMBL375595 | benzyl (S)-1-(((S)-3-bromo-4,5-dihy...) Show SMILES Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)NC[C@@H]2CC(Br)=NO2)cc1 |r,c:26| Show InChI InChI=1S/C21H22BrN3O5/c22-19-11-17(30-25-19)12-23-20(27)18(10-14-6-8-16(26)9-7-14)24-21(28)29-13-15-4-2-1-3-5-15/h1-9,17-18,26H,10-13H2,(H,23,27)(H,24,28)/t17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.80E+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 expressed in Escherichia coli				J Med Chem 49: 7493-501 (2006) Article DOI: 10.1021/jm060839a BindingDB Entry DOI: 10.7270/Q2280771
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50200158 (CHEMBL374887 | [1-[(3-bromo-4,5-dihydroisoxazol-5-...) Show SMILES Fc1cccc2[nH]cc(CC(NC(=O)OCc3ccccc3)C(=O)NCC3CC(Br)=NO3)c12 |c:30| Show InChI InChI=1S/C23H22BrFN4O4/c24-20-10-16(33-29-20)12-27-22(30)19(28-23(31)32-13-14-5-2-1-3-6-14)9-15-11-26-18-8-4-7-17(25)21(15)18/h1-8,11,16,19,26H,9-10,12-13H2,(H,27,30)(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.90E+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 expressed in Escherichia coli				J Med Chem 49: 7493-501 (2006) Article DOI: 10.1021/jm060839a BindingDB Entry DOI: 10.7270/Q2280771
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM50200150 (2-[(3-bromo-4,5-dihydroisoxazol-5-ylmethyl)carbamo...) Show SMILES BrC1=NOC(CNC(=O)C2Cc3ccccc3N2C(=O)OCc2ccccc2)C1 |t:1| Show InChI InChI=1S/C21H20BrN3O4/c22-19-11-16(29-24-19)12-23-20(26)18-10-15-8-4-5-9-17(15)25(18)21(27)28-13-14-6-2-1-3-7-14/h1-9,16,18H,10-13H2,(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.38E+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 expressed in Escherichia coli				J Med Chem 49: 7493-501 (2006) Article DOI: 10.1021/jm060839a BindingDB Entry DOI: 10.7270/Q2280771
					More data for this Ligand-Target Pair