Compile Data Set for Download or QSAR

Found 440 hits of ic50 data for polymerid = 50006582,50006708,50006709,50006900,50006937,50006938,7093,7239   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Transcription intermediary factor 1-alpha (Homo sapiens (Human))	BDBM50150818 (CHEMBL3774575) Show SMILES CCCOc1cc(OCCCCN(C)C)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)c1 Show InChI InChI=1S/C32H42N4O8S/c1-8-14-42-22-16-23(43-15-10-9-13-34(2)3)18-24(17-22)44-30-21-28-27(35(4)32(37)36(28)5)20-26(30)33-45(38,39)25-11-12-29(40-6)31(19-25)41-7/h11-12,16-21,33H,8-10,13-15H2,1-7H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas MD Anderson Cancer Center Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...				J Med Chem 59: 1440-54 (2016) Article DOI: 10.1021/acs.jmedchem.5b00405 BindingDB Entry DOI: 10.7270/Q26975F4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription intermediary factor 1-alpha (Homo sapiens (Human))	BDBM50150821 (CHEMBL3775251) Show SMILES CCCOc1cc(OCCCCN)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2cn(C)cn2)c1 Show InChI InChI=1S/C26H34N6O6S/c1-5-9-36-18-11-19(37-10-7-6-8-27)13-20(12-18)38-24-15-23-22(31(3)26(33)32(23)4)14-21(24)29-39(34,35)25-16-30(2)17-28-25/h11-17,29H,5-10,27H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas MD Anderson Cancer Center Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...				J Med Chem 59: 1440-54 (2016) Article DOI: 10.1021/acs.jmedchem.5b00405 BindingDB Entry DOI: 10.7270/Q26975F4
					More data for this Ligand-Target Pair
Transcription intermediary factor 1-alpha (Homo sapiens (Human))	BDBM50150820 (CHEMBL3774933) Show SMILES CCCOc1cc(OCCCCN)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)c1 Show InChI InChI=1S/C30H38N4O8S/c1-6-12-40-20-14-21(41-13-8-7-11-31)16-22(15-20)42-28-19-26-25(33(2)30(35)34(26)3)18-24(28)32-43(36,37)23-9-10-27(38-4)29(17-23)39-5/h9-10,14-19,32H,6-8,11-13,31H2,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas MD Anderson Cancer Center Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...				J Med Chem 59: 1440-54 (2016) Article DOI: 10.1021/acs.jmedchem.5b00405 BindingDB Entry DOI: 10.7270/Q26975F4
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (Homo sapiens (Human))	BDBM329912 ((s.e.)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(2-methox...) Show SMILES COc1ccc(SC(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/C20H22F3N5O6S2/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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (Homo sapiens (Human))	BDBM329913 ((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-{[2-(6-phenyl...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cncc(n2)-c2ccccc2)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C22H23N7O5S/c23-35(32,33)34-12-14-8-16(22(31)21(14)30)27-19-6-7-25-20-9-15(28-29(19)20)18-11-24-10-17(26-18)13-4-2-1-3-5-13/h1-7,9-11,14,16,21-22,27,30-31H,8,12H2,(H2,23,32,33)/t14-,16-,21-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (Homo sapiens (Human))	BDBM329914 ((rac)-[(1R,2R,3S,4R)-2,3-dihydroxy-4-({2-[3-(1-met...) Show SMILES Cn1cc(cn1)-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/C22H25N7O5S/c1-28-11-16(10-25-28)13-3-2-4-14(7-13)17-9-20-24-6-5-19(29(20)27-17)26-18-8-15(21(30)22(18)31)12-34-35(23,32)33/h2-7,9-11,15,18,21-22,26,30-31H,8,12H2,1H3,(H2,23,32,33)/t15-,18-,21-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (Homo sapiens (Human))	BDBM329915 ((rac)-{(1R,2R,3S,4R)-4-[(2-{3-[2-chloro-1-(hydroxy...) Show SMILES CC(CO)(CCl)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/C22H28ClN5O6S/c1-22(11-23,12-29)15-4-2-3-13(7-15)16-9-19-25-6-5-18(28(19)27-16)26-17-8-14(20(30)21(17)31)10-34-35(24,32)33/h2-7,9,14,17,20-21,26,29-31H,8,10-12H2,1H3,(H2,24,32,33)/t14-,17-,20-,21+,22?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
Transcription intermediary factor 1-alpha (Homo sapiens (Human))	BDBM449269 (US10702504, Compound I-A6) Show SMILES CCCOc1cccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2cccc(c2)C(=O)NCCCOCCOCCOCCCNC(=O)COc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)c1 Show InChI InChI=1S/C50H57N7O15S/c1-4-20-70-33-11-6-12-34(28-33)72-42-30-40-39(55(2)50(64)56(40)3)29-37(42)54-73(65,66)35-13-5-10-32(27-35)46(60)52-19-9-22-68-24-26-69-25-23-67-21-8-18-51-44(59)31-71-41-15-7-14-36-45(41)49(63)57(48(36)62)38-16-17-43(58)53-47(38)61/h5-7,10-15,27-30,38,54H,4,8-9,16-26,31H2,1-3H3,(H,51,59)(H,52,60)(H,53,58,61)	PDB KEGG UniProtKB/SwissProt 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
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description The alpha assay was used to assess the binding of the compounds of the application to TRIM24 at various concentrations. All compounds were added at c...				US Patent US10702504 (2020) BindingDB Entry DOI: 10.7270/Q22B921C
					More data for this Ligand-Target Pair
Transcription intermediary factor 1-alpha (Homo sapiens (Human))	BDBM449285 (US10702504, Compound I-A10) Show SMILES CCCOc1cc(OCCCCN(C)C)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2cccc(c2)C(=O)NCCCCNC(=O)COc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)c1 Show InChI InChI=1S/C50H58N8O13S/c1-6-22-68-32-25-33(69-23-10-9-21-55(2)3)27-34(26-32)71-42-29-40-39(56(4)50(65)57(40)5)28-37(42)54-72(66,67)35-14-11-13-31(24-35)46(61)52-20-8-7-19-51-44(60)30-70-41-16-12-15-36-45(41)49(64)58(48(36)63)38-17-18-43(59)53-47(38)62/h11-16,24-29,38,54H,6-10,17-23,30H2,1-5H3,(H,51,60)(H,52,61)(H,53,59,62)	PDB KEGG UniProtKB/SwissProt 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
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description The alpha assay was used to assess the binding of the compounds of the application to TRIM24 at various concentrations. All compounds were added at c...				US Patent US10702504 (2020) BindingDB Entry DOI: 10.7270/Q22B921C
					More data for this Ligand-Target Pair
Transcription intermediary factor 1-alpha (Homo sapiens (Human))	BDBM449294 (US10702504, Compound I-A11) Show SMILES CCCOc1cc(OCCCCN(C)C)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2cccc(c2)C(=O)NCCCCCCCCNC(=O)COc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)c1 Show InChI InChI=1S/C54H66N8O13S/c1-6-26-72-36-29-37(73-27-14-13-25-59(2)3)31-38(30-36)75-46-33-44-43(60(4)54(69)61(44)5)32-41(46)58-76(70,71)39-18-15-17-35(28-39)50(65)56-24-12-10-8-7-9-11-23-55-48(64)34-74-45-20-16-19-40-49(45)53(68)62(52(40)67)42-21-22-47(63)57-51(42)66/h15-20,28-33,42,58H,6-14,21-27,34H2,1-5H3,(H,55,64)(H,56,65)(H,57,63,66)	PDB KEGG UniProtKB/SwissProt 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
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description The alpha assay was used to assess the binding of the compounds of the application to TRIM24 at various concentrations. All compounds were added at c...				US Patent US10702504 (2020) BindingDB Entry DOI: 10.7270/Q22B921C
					More data for this Ligand-Target Pair
Transcription intermediary factor 1-alpha (Homo sapiens (Human))	BDBM449296 (US10702504, Compound I-A12) Show SMILES CCCOc1cc(OCCCCN(C)C)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2cccc(c2)C(=O)NCCCOCCOCCOCCCNC(=O)COc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)c1 Show InChI InChI=1S/C56H70N8O16S/c1-6-22-77-38-31-39(78-25-8-7-21-61(2)3)33-40(32-38)80-48-35-46-45(62(4)56(71)63(46)5)34-43(48)60-81(72,73)41-14-9-13-37(30-41)52(67)58-20-12-24-75-27-29-76-28-26-74-23-11-19-57-50(66)36-79-47-16-10-15-42-51(47)55(70)64(54(42)69)44-17-18-49(65)59-53(44)68/h9-10,13-16,30-35,44,60H,6-8,11-12,17-29,36H2,1-5H3,(H,57,66)(H,58,67)(H,59,65,68)	PDB KEGG UniProtKB/SwissProt 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
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description The alpha assay was used to assess the binding of the compounds of the application to TRIM24 at various concentrations. All compounds were added at c...				US Patent US10702504 (2020) BindingDB Entry DOI: 10.7270/Q22B921C
					More data for this Ligand-Target Pair
Transcription intermediary factor 1-alpha (Homo sapiens (Human))	BDBM449304 (US10702504, Compound I-B2) Show SMILES CCCOc1cccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2cccc(c2)C(=O)NCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)c1 |r| Show InChI InChI=1S/C53H64N8O12S2/c1-8-20-72-38-12-10-13-39(26-38)73-45-28-43-42(59(6)52(67)60(43)7)27-41(45)58-75(68,69)40-14-9-11-36(24-40)49(64)54-19-21-70-22-23-71-31-46(63)57-48(53(3,4)5)51(66)61-30-37(62)25-44(61)50(65)55-29-34-15-17-35(18-16-34)47-33(2)56-32-74-47/h9-18,24,26-28,32,37,44,48,58,62H,8,19-23,25,29-31H2,1-7H3,(H,54,64)(H,55,65)(H,57,63)/t37-,44+,48-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description The alpha assay was used to assess the binding of the compounds of the application to TRIM24 at various concentrations. All compounds were added at c...				US Patent US10702504 (2020) BindingDB Entry DOI: 10.7270/Q22B921C
					More data for this Ligand-Target Pair
Transcription intermediary factor 1-alpha (Homo sapiens (Human))	BDBM449307 (US10702504, Compound I-B4) Show SMILES CCCOc1cc(OCCCCN(C)C)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2cccc(c2)C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)c1 |r| Show InChI InChI=1S/C61H81N9O14S2/c1-10-22-82-45-31-46(83-23-12-11-21-67(6)7)33-47(32-45)84-53-35-51-50(68(8)60(76)69(51)9)34-49(53)66-86(77,78)48-15-13-14-43(29-48)57(73)62-20-24-79-25-26-80-27-28-81-38-54(72)65-56(61(3,4)5)59(75)70-37-44(71)30-52(70)58(74)63-36-41-16-18-42(19-17-41)55-40(2)64-39-85-55/h13-19,29,31-35,39,44,52,56,66,71H,10-12,20-28,30,36-38H2,1-9H3,(H,62,73)(H,63,74)(H,65,72)/t44-,52+,56-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description The alpha assay was used to assess the binding of the compounds of the application to TRIM24 at various concentrations. All compounds were added at c...				US Patent US10702504 (2020) BindingDB Entry DOI: 10.7270/Q22B921C
					More data for this Ligand-Target Pair
Transcription intermediary factor 1-alpha (Homo sapiens (Human))	BDBM50150808 (CHEMBL3774507 | US10702504, Compound C) Show SMILES CC(C)COc1cccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2cn(C)c(C)n2)c1 Show InChI InChI=1S/C24H29N5O5S/c1-15(2)14-33-17-8-7-9-18(10-17)34-22-12-21-20(28(5)24(30)29(21)6)11-19(22)26-35(31,32)23-13-27(4)16(3)25-23/h7-13,15,26H,14H2,1-6H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description The alpha assay was used to assess the binding of the compounds of the application to TRIM24 at various concentrations. All compounds were added at c...				US Patent US10702504 (2020) BindingDB Entry DOI: 10.7270/Q22B921C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription intermediary factor 1-alpha (Homo sapiens (Human))	BDBM50150812 (CHEMBL3775853 | US10702504, Compound D) Show SMILES CCCOc1cccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)c1 Show InChI InChI=1S/C26H29N3O7S/c1-6-12-35-17-8-7-9-18(13-17)36-24-16-22-21(28(2)26(30)29(22)3)15-20(24)27-37(31,32)19-10-11-23(33-4)25(14-19)34-5/h7-11,13-16,27H,6,12H2,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description The alpha assay was used to assess the binding of the compounds of the application to TRIM24 at various concentrations. All compounds were added at c...				US Patent US10702504 (2020) BindingDB Entry DOI: 10.7270/Q22B921C
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (Homo sapiens (Human))	BDBM347108 (US10202389, Compound I-063 | US10202389, Example 9...) Show SMILES COc1ccc(cc1-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1)C(C)(C)C |r| Show InChI InChI=1S/C23H31N5O6S/c1-23(2,3)14-5-6-18(33-4)15(10-14)16-11-20-25-8-7-19(28(20)27-16)26-17-9-13(21(29)22(17)30)12-34-35(24,31)32/h5-8,10-11,13,17,21-22,26,29-30H,9,12H2,1-4H3,(H2,24,31,32)/t13-,17-,21-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (Homo sapiens (Human))	BDBM354140 (US9796725, Compound I-099 | US9796725, Example 11) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc3cc(ccc23)C(O)=O)C(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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 he 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-ubiq...				US Patent US9796725 (2017) BindingDB Entry DOI: 10.7270/Q23T9KC6
					More data for this Ligand-Target Pair

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