Compile Data Set for Download or QSAR

Found 1985 hits with Last Name = 'fleming' and Initial = 'pe'   

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
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM84747 ((B) ZD6474 | US10155768, Vandetanib | US10183928, ...) Show SMILES CN1CCC(COc2cc3ncnc(Nc4ccc(Br)cc4F)c3cc2C)CC1 Show InChI InChI=1S/C23H25BrFN3O/c1-15-9-19-21(10-17-3-4-18(24)11-20(17)25)26-14-27-22(19)12-23(15)29-13-16-5-7-28(2)8-6-16/h3-4,9,11-12,14,16H,5-8,10,13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...				US Patent US10202365 (2019) BindingDB Entry DOI: 10.7270/Q2736T1G
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM461424 (US10774070, Compound Vandetanib | US10807986, Exam...) Show SMILES CN1CCC(COc2cc3ncnc(Cc4ccc(Br)cc4F)c3cc2C)CC1 Show InChI InChI=1S/C23H25BrFN3O/c1-15-9-19-21(10-17-3-4-18(24)11-20(17)25)26-14-27-22(19)12-23(15)29-13-16-5-7-28(2)8-6-16/h3-4,9,11-12,14,16H,5-8,10,13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In order to assess the activity of chemical compounds against the relevant kinase of interest, the Caliper LifeSciences electrophoretic mobility shif...				US Patent US10774070 (2020) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM84747 ((B) ZD6474 | US10155768, Vandetanib | US10183928, ...) Show SMILES CN1CCC(COc2cc3ncnc(Nc4ccc(Br)cc4F)c3cc2C)CC1 Show InChI InChI=1S/C23H25BrFN3O/c1-15-9-19-21(10-17-3-4-18(24)11-20(17)25)26-14-27-22(19)12-23(15)29-13-16-5-7-28(2)8-6-16/h3-4,9,11-12,14,16H,5-8,10,13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) was incubated in a total of 12.5 μL of buffer (100 mM HE...				J Med Chem 51: 1231-41 (2008) BindingDB Entry DOI: 10.7270/Q22V2JDM
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50363397 (CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...				US Patent US10202365 (2019) BindingDB Entry DOI: 10.7270/Q2736T1G
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50363397 (CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In order to assess the activity of chemical compounds against the relevant kinase of interest, the Caliper LifeSciences electrophoretic mobility shif...				US Patent US10774070 (2020) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50363397 (CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) was incubated in a total of 12.5 μL of buffer (100 mM HE...				J Med Chem 51: 1231-41 (2008) BindingDB Entry DOI: 10.7270/Q22V2JDM
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank US Patent	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In order to assess the activity of chemical compounds against the relevant kinase of interest, the Caliper LifeSciences electrophoretic mobility shif...				US Patent US10774070 (2020) BindingDB Entry DOI: 10.7270/Q2HM5CHN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank US Patent	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...				US Patent US10202365 (2019) BindingDB Entry DOI: 10.7270/Q2736T1G
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank US Patent	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) was incubated in a total of 12.5 μL of buffer (100 mM HE...				J Med Chem 51: 1231-41 (2008) BindingDB Entry DOI: 10.7270/Q22V2JDM
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329844 ((rac)-((1R,2R,3S,4R)-4-(2-(6-tert-butylpyridin-2-y...) Show SMILES CC(C)(C)c1cccc(n1)-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r| Show InChI InChI=1S/C21H28N6O5S/c1-21(2,3)16-6-4-5-13(24-16)14-10-18-23-8-7-17(27(18)26-14)25-15-9-12(19(28)20(15)29)11-32-33(22,30)31/h4-8,10,12,15,19-20,25,28-29H,9,11H2,1-3H3,(H2,22,30,31)/t12-,15-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329845 ((rac)-((1R,2R,3S,4R)-4-(2-(3,3-dimethyl-1,3-dihydr...) Show SMILES CC1(C)OCc2ccc(cc12)-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r| Show InChI InChI=1S/C22H27N5O6S/c1-22(2)15-7-12(3-4-13(15)10-32-22)16-9-19-24-6-5-18(27(19)26-16)25-17-8-14(20(28)21(17)29)11-33-34(23,30)31/h3-7,9,14,17,20-21,25,28-29H,8,10-11H2,1-2H3,(H2,23,30,31)/t14-,17-,20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329846 ((rac)-[(1R,2R,3S,4R)-4-{[2-(5-chloro-1H-indol-3-yl...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2c[nH]c3ccc(Cl)cc23)[C@H](O)[C@@H]1O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329847 ((rac)-[(1R,2R,3S,4R)-4-{[2-(6-chloro-1H-indol-3-yl...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2c[nH]c3cc(Cl)ccc23)[C@H](O)[C@@H]1O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329848 ((rac)-((1R,2R,3S,4R)-4-((2-(Dibenzo[b,d]thiophen-4...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc3c4ccccc4sc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C24H23N5O5S2/c25-36(32,33)34-12-13-10-18(23(31)22(13)30)27-20-8-9-26-21-11-17(28-29(20)21)16-6-3-5-15-14-4-1-2-7-19(14)35-24(15)16/h1-9,11,13,18,22-23,27,30-31H,10,12H2,(H2,25,32,33)/t13-,18-,22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329849 ((rac)-((1R,2R,3S,4R)-4-(2-(5-chloro-2-(trifluorome...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cc(Cl)ccc2OC(F)(F)F)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C19H19ClF3N5O6S/c20-10-1-2-14(34-19(21,22)23)11(6-10)12-7-16-25-4-3-15(28(16)27-12)26-13-5-9(17(29)18(13)30)8-33-35(24,31)32/h1-4,6-7,9,13,17-18,26,29-30H,5,8H2,(H2,24,31,32)/t9-,13-,17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329850 ((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(3-(1,1,1-...) Show SMILES CC(C)(c1cccc(c1)-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1)C(F)(F)F |r| Show InChI InChI=1S/C22H26F3N5O5S/c1-21(2,22(23,24)25)14-5-3-4-12(8-14)15-10-18-27-7-6-17(30(18)29-15)28-16-9-13(19(31)20(16)32)11-35-36(26,33)34/h3-8,10,13,16,19-20,28,31-32H,9,11H2,1-2H3,(H2,26,33,34)/t13-,16-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329853 ((rac)-((1R,2R,3S,4R)-4-((2-(Benzo[b]thiophen-4-yl)...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc3sccc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H21N5O5S2/c21-32(28,29)30-10-11-8-15(20(27)19(11)26)23-17-4-6-22-18-9-14(24-25(17)18)12-2-1-3-16-13(12)5-7-31-16/h1-7,9,11,15,19-20,23,26-27H,8,10H2,(H2,21,28,29)/t11-,15-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329854 ((rac)-[(1R,2R,3S,4R)-4-{[2-(9H-carbazol-2-yl)pyraz...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2ccc3c(c2)[nH]c2ccccc32)[C@H](O)[C@@H]1O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329807 ((rac)-((1R,2R,3S,4R)-4-((2-(3-(tert-Butyl)phenyl)p...) Show SMILES CC(C)(C)c1cccc(c1)-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r| Show InChI InChI=1S/C22H29N5O5S/c1-22(2,3)15-6-4-5-13(9-15)16-11-19-24-8-7-18(27(19)26-16)25-17-10-14(20(28)21(17)29)12-32-33(23,30)31/h4-9,11,14,17,20-21,25,28-29H,10,12H2,1-3H3,(H2,23,30,31)/t14-,17-,20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329857 ((rac)-((1R,2R,3S,4R)-2,3-Dihydroxy-4-((2-(2-methox...) Show SMILES COc1ccc(cc1-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1)C(F)(F)F |r| Show InChI InChI=1S/C20H22F3N5O6S/c1-33-15-3-2-11(20(21,22)23)7-12(15)13-8-17-25-5-4-16(28(17)27-13)26-14-6-10(18(29)19(14)30)9-34-35(24,31)32/h2-5,7-8,10,14,18-19,26,29-30H,6,9H2,1H3,(H2,24,31,32)/t10-,14-,18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329858 ((rac)-((1R,2R,3S,4R)-2,3-Dihydroxy-4-((2-(2-methox...) Show SMILES COc1ccc(OC(F)(F)F)cc1-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r| Show InChI InChI=1S/C20H22F3N5O7S/c1-33-15-3-2-11(35-20(21,22)23)7-12(15)13-8-17-25-5-4-16(28(17)27-13)26-14-6-10(18(29)19(14)30)9-34-36(24,31)32/h2-5,7-8,10,14,18-19,26,29-30H,6,9H2,1H3,(H2,24,31,32)/t10-,14-,18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329859 ((rac)-[(1R,2R,3S,4R)-2,3-dihydroxy-4-{[2-(2-phenyl...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cnc(o2)-c2ccccc2)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C21H22N6O6S/c22-34(30,31)32-11-13-8-15(20(29)19(13)28)25-17-6-7-23-18-9-14(26-27(17)18)16-10-24-21(33-16)12-4-2-1-3-5-12/h1-7,9-10,13,15,19-20,25,28-29H,8,11H2,(H2,22,30,31)/t13-,15-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329862 ((rac)-((1R,2R,3S,4R)-4-(2-(4-fluoro-2-methoxypheny...) Show SMILES COc1cc(F)ccc1-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r| Show InChI InChI=1S/C19H22FN5O6S/c1-30-15-7-11(20)2-3-12(15)13-8-17-22-5-4-16(25(17)24-13)23-14-6-10(18(26)19(14)27)9-31-32(21,28)29/h2-5,7-8,10,14,18-19,23,26-27H,6,9H2,1H3,(H2,21,28,29)/t10-,14-,18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329863 ((rac)-((1R,2R,3S,4R)-4-(2-(5-chlorobenzo[b]thiophe...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2csc3ccc(Cl)cc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H20ClN5O5S2/c21-11-1-2-16-12(6-11)13(9-32-16)14-7-18-23-4-3-17(26(18)25-14)24-15-5-10(19(27)20(15)28)8-31-33(22,29)30/h1-4,6-7,9-10,15,19-20,24,27-28H,5,8H2,(H2,22,29,30)/t10-,15-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329864 ((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(2-methoyp...) Show SMILES COc1ccccc1-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r| Show InChI InChI=1S/C19H23N5O6S/c1-29-15-5-3-2-4-12(15)13-9-17-21-7-6-16(24(17)23-13)22-14-8-11(18(25)19(14)26)10-30-31(20,27)28/h2-7,9,11,14,18-19,22,25-26H,8,10H2,1H3,(H2,20,27,28)/t11-,14-,18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329867 ((rac)-((1R,2R,3S,4R)-4-(2-(1H-indol-4-yl)pyrazolo[...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc3[nH]ccc23)[C@H](O)[C@@H]1O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329868 ((rac)-((1R,2R,3S,4R)-4-(2-(3-(cyclopropylmethylthi...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(SCC3CC3)c2)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C22H27N5O5S2/c23-34(30,31)32-11-15-9-18(22(29)21(15)28)25-19-6-7-24-20-10-17(26-27(19)20)14-2-1-3-16(8-14)33-12-13-4-5-13/h1-3,6-8,10,13,15,18,21-22,25,28-29H,4-5,9,11-12H2,(H2,23,30,31)/t15-,18-,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329869 ((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(3-(piperi...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(c2)N2CCCCC2)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C23H30N6O5S/c24-35(32,33)34-14-16-12-19(23(31)22(16)30)26-20-7-8-25-21-13-18(27-29(20)21)15-5-4-6-17(11-15)28-9-2-1-3-10-28/h4-8,11,13,16,19,22-23,26,30-31H,1-3,9-10,12,14H2,(H2,24,32,33)/t16-,19-,22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329870 ((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(3-morphol...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(c2)N2CCOCC2)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C22H28N6O6S/c23-35(31,32)34-13-15-11-18(22(30)21(15)29)25-19-4-5-24-20-12-17(26-28(19)20)14-2-1-3-16(10-14)27-6-8-33-9-7-27/h1-5,10,12,15,18,21-22,25,29-30H,6-9,11,13H2,(H2,23,31,32)/t15-,18-,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329873 ((rac)-((1R,2R,3S,4R)-4-(2-(5-fluorobenzo[b]thiophe...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2csc3ccc(F)cc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H20FN5O5S2/c21-11-1-2-16-12(6-11)13(9-32-16)14-7-18-23-4-3-17(26(18)25-14)24-15-5-10(19(27)20(15)28)8-31-33(22,29)30/h1-4,6-7,9-10,15,19-20,24,27-28H,5,8H2,(H2,22,29,30)/t10-,15-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329874 ((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(3-(2-meth...) Show SMILES COC(C)(C)c1cccc(c1)-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r| Show InChI InChI=1S/C22H29N5O6S/c1-22(2,32-3)15-6-4-5-13(9-15)16-11-19-24-8-7-18(27(19)26-16)25-17-10-14(20(28)21(17)29)12-33-34(23,30)31/h4-9,11,14,17,20-21,25,28-29H,10,12H2,1-3H3,(H2,23,30,31)/t14-,17-,20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329875 ((rac)-[(1R,2R,3S,4R)-4-{[2-(3-ethynylphenyl)pyrazo...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(c2)C#C)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H21N5O5S/c1-2-12-4-3-5-13(8-12)15-10-18-22-7-6-17(25(18)24-15)23-16-9-14(19(26)20(16)27)11-30-31(21,28)29/h1,3-8,10,14,16,19-20,23,26-27H,9,11H2,(H2,21,28,29)/t14-,16-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329876 ((rac)-((1R,2R,3S,4R)-4-(2-(3-(2-ethoxypropan-2-yl)...) Show SMILES CCOC(C)(C)c1cccc(c1)-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r| Show InChI InChI=1S/C23H31N5O6S/c1-4-33-23(2,3)16-7-5-6-14(10-16)17-12-20-25-9-8-19(28(20)27-17)26-18-11-15(21(29)22(18)30)13-34-35(24,31)32/h5-10,12,15,18,21-22,26,29-30H,4,11,13H2,1-3H3,(H2,24,31,32)/t15-,18-,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329877 ((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(9-oxo-9H-...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2ccc3-c4ccccc4C(=O)c3c2)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C25H23N5O6S/c26-37(34,35)36-12-14-10-20(25(33)23(14)31)28-21-7-8-27-22-11-19(29-30(21)22)13-5-6-16-15-3-1-2-4-17(15)24(32)18(16)9-13/h1-9,11,14,20,23,25,28,31,33H,10,12H2,(H2,26,34,35)/t14-,20-,23-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329878 ((rac)-((1R,2R,3S,4R)-4-(2-(benzofuran-2-yl)pyrazol...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cc3ccccc3o2)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H21N5O6S/c21-32(28,29)30-10-12-7-14(20(27)19(12)26)23-17-5-6-22-18-9-13(24-25(17)18)16-8-11-3-1-2-4-15(11)31-16/h1-6,8-9,12,14,19-20,23,26-27H,7,10H2,(H2,21,28,29)/t12-,14-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329879 ((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(3-(2-oxop...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(c2)N2CCCC2=O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C22H26N6O6S/c23-35(32,33)34-12-14-10-17(22(31)21(14)30)25-18-6-7-24-19-11-16(26-28(18)19)13-3-1-4-15(9-13)27-8-2-5-20(27)29/h1,3-4,6-7,9,11,14,17,21-22,25,30-31H,2,5,8,10,12H2,(H2,23,32,33)/t14-,17-,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329882 ((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(3-(2-prop...) Show SMILES CCCOC(C)(C)c1cccc(c1)-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r| Show InChI InChI=1S/C24H33N5O6S/c1-4-10-34-24(2,3)17-7-5-6-15(11-17)18-13-21-26-9-8-20(29(21)28-18)27-19-12-16(22(30)23(19)31)14-35-36(25,32)33/h5-9,11,13,16,19,22-23,27,30-31H,4,10,12,14H2,1-3H3,(H2,25,32,33)/t16-,19-,22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329883 ((rac)-((1R,2R,3S,4R)-4-(2-(6-chlorobenzo[b]thiophe...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2csc3cc(Cl)ccc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H20ClN5O5S2/c21-11-1-2-12-13(9-32-16(12)6-11)14-7-18-23-4-3-17(26(18)25-14)24-15-5-10(19(27)20(15)28)8-31-33(22,29)30/h1-4,6-7,9-10,15,19-20,24,27-28H,5,8H2,(H2,22,29,30)/t10-,15-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329884 ((rac)-((1R,2R,3S,4R)-4-(2-(5-chlorobenzofuran-3-yl...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2coc3ccc(Cl)cc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H20ClN5O6S/c21-11-1-2-16-12(6-11)13(9-31-16)14-7-18-23-4-3-17(26(18)25-14)24-15-5-10(19(27)20(15)28)8-32-33(22,29)30/h1-4,6-7,9-10,15,19-20,24,27-28H,5,8H2,(H2,22,29,30)/t10-,15-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329885 ((rac)-((1R,2R,3S,4R)-4-(2-(dibenzo[b,d]furan-3-yl)...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2ccc3c(c2)oc2ccccc32)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C24H23N5O6S/c25-36(32,33)34-12-14-9-18(24(31)23(14)30)27-21-7-8-26-22-11-17(28-29(21)22)13-5-6-16-15-3-1-2-4-19(15)35-20(16)10-13/h1-8,10-11,14,18,23-24,27,30-31H,9,12H2,(H2,25,32,33)/t14-,18-,23-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329886 ((rac)-((1R,2R,3S,4R)-4-(2-(5-ethylbenzo[b]thiophen...) Show SMILES CCc1ccc2scc(-c3cc4nccc(N[C@@H]5C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]5O)n4n3)c2c1 |r| Show InChI InChI=1S/C22H25N5O5S2/c1-2-12-3-4-18-14(7-12)15(11-33-18)16-9-20-24-6-5-19(27(20)26-16)25-17-8-13(21(28)22(17)29)10-32-34(23,30)31/h3-7,9,11,13,17,21-22,25,28-29H,2,8,10H2,1H3,(H2,23,30,31)/t13-,17-,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329888 ((rac)-methyl rel-5-[7-({(1R,2S,3R,4R)-2,3-dihydrox...) Show SMILES COC(=O)c1ccc2c(cccc2c1)-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r| Show InChI InChI=1S/C24H25N5O7S/c1-35-24(32)14-5-6-16-13(9-14)3-2-4-17(16)18-11-21-26-8-7-20(29(21)28-18)27-19-10-15(22(30)23(19)31)12-36-37(25,33)34/h2-9,11,15,19,22-23,27,30-31H,10,12H2,1H3,(H2,25,33,34)/t15-,19-,22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329889 ((rac)-((1R,2R,3S,4R)-4-(2-(5-fluoronaphthalen-1-yl...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc3c(F)cccc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C22H22FN5O5S/c23-16-6-2-3-13-14(16)4-1-5-15(13)17-10-20-25-8-7-19(28(20)27-17)26-18-9-12(21(29)22(18)30)11-33-34(24,31)32/h1-8,10,12,18,21-22,26,29-30H,9,11H2,(H2,24,31,32)/t12-,18-,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329794 ((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-{[2-(1-naphth...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc3ccccc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C22H23N5O5S/c23-33(30,31)32-12-14-10-18(22(29)21(14)28)25-19-8-9-24-20-11-17(26-27(19)20)16-7-3-5-13-4-1-2-6-15(13)16/h1-9,11,14,18,21-22,25,28-29H,10,12H2,(H2,23,30,31)/t14-,18-,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329891 ((rac)-rel-5-[7-({(1R,2S,3R,4R)-2,3-dihydroxy-4- | ...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc3cc(ccc23)C(O)=O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C23H23N5O7S/c24-36(33,34)35-11-14-9-18(22(30)21(14)29)26-19-6-7-25-20-10-17(27-28(19)20)16-3-1-2-12-8-13(23(31)32)4-5-15(12)16/h1-8,10,14,18,21-22,26,29-30H,9,11H2,(H,31,32)(H2,24,33,34)/t14-,18-,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329892 ((s.e.)-((1R,2R,3S,4R)-4-(2-(4-fluoronaphthalen-1-y...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2ccc(F)c3ccccc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C22H22FN5O5S/c23-16-6-5-15(13-3-1-2-4-14(13)16)17-10-20-25-8-7-19(28(20)27-17)26-18-9-12(21(29)22(18)30)11-33-34(24,31)32/h1-8,10,12,18,21-22,26,29-30H,9,11H2,(H2,24,31,32)/t12-,18-,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329836 ((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(3-(triflu...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(SC(F)(F)F)c2)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C19H20F3N5O5S2/c20-19(21,22)33-12-3-1-2-10(6-12)13-8-16-24-5-4-15(27(16)26-13)25-14-7-11(17(28)18(14)29)9-32-34(23,30)31/h1-6,8,11,14,17-18,25,28-29H,7,9H2,(H2,23,30,31)/t11-,14-,17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329858 ((rac)-((1R,2R,3S,4R)-2,3-Dihydroxy-4-((2-(2-methox...) Show SMILES COc1ccc(OC(F)(F)F)cc1-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r| Show InChI InChI=1S/C20H22F3N5O7S/c1-33-15-3-2-11(35-20(21,22)23)7-12(15)13-8-17-25-5-4-16(28(17)27-13)26-14-6-10(18(29)19(14)30)9-34-36(24,31)32/h2-5,7-8,10,14,18-19,26,29-30H,6,9H2,1H3,(H2,24,31,32)/t10-,14-,18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329802 ((rac)-((1R,2R,3S,4R)-4-(2-(dibenzo[b,d]furan-4-yl)...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc3c4ccccc4oc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C24H23N5O6S/c25-36(32,33)34-12-13-10-18(23(31)22(13)30)27-20-8-9-26-21-11-17(28-29(20)21)16-6-3-5-15-14-4-1-2-7-19(14)35-24(15)16/h1-9,11,13,18,22-23,27,30-31H,10,12H2,(H2,25,32,33)/t13-,18-,22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 E1 (Homo sapiens (Human))	BDBM329896 ((s.e.)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(2-methox...) Show SMILES COc1ccc2ccccc2c1-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r| Show InChI InChI=1S/C23H25N5O6S/c1-33-18-7-6-13-4-2-3-5-15(13)21(18)16-11-20-25-9-8-19(28(20)27-16)26-17-10-14(22(29)23(17)30)12-34-35(24,31)32/h2-9,11,14,17,22-23,26,29-30H,10,12H2,1H3,(H2,24,31,32)/t14-,17-,22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubi...				US Patent US9663525 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BJP
					More data for this Ligand-Target Pair

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