Compile Data Set for Download or QSAR

Found 328 hits with Last Name = 'zawadzka' and Initial = 'a'   

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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105212 (2-(4-Nonyl-piperazin-1-yl)-6-nitroquinoline (9)) Show SMILES CCCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C22H32N4O2/c1-2-3-4-5-6-7-8-13-24-14-16-25(17-15-24)22-12-9-19-18-20(26(27)28)10-11-21(19)23-22/h9-12,18H,2-8,13-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80	-49.9	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105213 (2-(4-Decyl-piperazin-1-yl)-6-nitroquinoline (10)) Show SMILES CCCCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C23H34N4O2/c1-2-3-4-5-6-7-8-9-14-25-15-17-26(18-16-25)23-13-10-20-19-21(27(28)29)11-12-22(20)24-23/h10-13,19H,2-9,14-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.5	-47.6	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105214 (2-(4-Undecyl-piperazin-1-yl)-6-nitroquinoline (11)) Show SMILES CCCCCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C24H36N4O2/c1-2-3-4-5-6-7-8-9-10-15-26-16-18-27(19-17-26)24-14-11-21-20-22(28(29)30)12-13-23(21)25-24/h11-14,20H,2-10,15-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12.6	-45.1	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105215 (2-(4-Dodecyl-piperazin-1-yl)-6-nitroquinoline (12)) Show SMILES CCCCCCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C25H38N4O2/c1-2-3-4-5-6-7-8-9-10-11-16-27-17-19-28(20-18-27)25-15-12-22-21-23(29(30)31)13-14-24(22)26-25/h12-15,21H,2-11,16-20H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16.1	-44.5	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105211 (2-(4-Octyl-piperazin-1-yl)-6-nitroquinoline (8)) Show SMILES CCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C21H30N4O2/c1-2-3-4-5-6-7-12-23-13-15-24(16-14-23)21-11-8-18-17-19(25(26)27)9-10-20(18)22-21/h8-11,17H,2-7,12-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20.8	-43.8	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105207 (2-(4-Butyl-piperazin-1-yl)-6-nitroquinoline (4)) Show SMILES CCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C17H22N4O2/c1-2-3-8-19-9-11-20(12-10-19)17-7-4-14-13-15(21(22)23)5-6-16(14)18-17/h4-7,13H,2-3,8-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	24	-43.5	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105210 (2-(4-Heptyl-piperazin-1-yl)-6-nitroquinoline (7)) Show SMILES CCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C20H28N4O2/c1-2-3-4-5-6-11-22-12-14-23(15-13-22)20-10-7-17-16-18(24(25)26)8-9-19(17)21-20/h7-10,16H,2-6,11-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	54.1	-41.5	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105209 (2-(4-Hexyl-piperazin-1-yl)-6-nitroquinoline (6)) Show SMILES CCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C19H26N4O2/c1-2-3-4-5-10-21-11-13-22(14-12-21)19-9-6-16-15-17(23(24)25)7-8-18(16)20-19/h6-9,15H,2-5,10-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	72.9	-40.7	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105208 (2-(4-Pentyl-piperazin-1-yl)-6-nitroquinoline (5)) Show SMILES CCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C18H24N4O2/c1-2-3-4-9-20-10-12-21(13-11-20)18-8-5-15-14-16(22(23)24)6-7-17(15)19-18/h5-8,14H,2-4,9-13H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	80.5	-40.5	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105205 (2-(4-Ethyl-piperazin-1-yl)-6-nitroquinoline (2)) Show SMILES CCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C15H18N4O2/c1-2-17-7-9-18(10-8-17)15-6-3-12-11-13(19(20)21)4-5-14(12)16-15/h3-6,11H,2,7-10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	86.1	-40.3	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105206 (2-(4-Propyl-piperazin-1-yl)-6-nitroquinoline (3)) Show SMILES CCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C16H20N4O2/c1-2-7-18-8-10-19(11-9-18)16-6-3-13-12-14(20(21)22)4-5-15(13)17-16/h3-6,12H,2,7-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	496	-36.0	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM105204 (2-(4-Methyl-piperazin-1-yl)-6-nitroquinoline (1)) Show SMILES CN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C14H16N4O2/c1-16-6-8-17(9-7-16)14-5-2-11-10-12(18(19)20)3-4-13(11)15-14/h2-5,10H,6-9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	-33.6	n/a	n/a	n/a	n/a	n/a	7.7	25
University of Troms£					Assay Description The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...				Chem Biol Drug Des 81: 695-706 (2013) Article DOI: 10.1111/cbdd.12116 BindingDB Entry DOI: 10.7270/Q2542M7W
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575601 (CHEMBL4858933) Show SMILES Cc1sc(cc1C1OCCc2ccc(Cl)nc12)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575593 (CHEMBL4878832) Show SMILES CC(O)(c1csc(c1)C(=O)c1cncnc1N[C@@H]1C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O)c1cccc(Br)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575591 (CHEMBL4850183) Show SMILES CC(O)(c1csc(c1)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1)c1cccc(Cl)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575588 (CHEMBL4854038) Show SMILES Cc1sc(cc1C(N)c1cccc(Cl)c1)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575590 (CHEMBL4864361) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(C(O)c2cccc(Cl)n2)c(Cl)s1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575600 (CHEMBL4873487) Show SMILES Cc1sc(cc1C1OCCc2cccnc12)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM132084 (US8841453, 15) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCCCNc3c4CCCCc4nc4ccccc34)cc12 Show InChI InChI=1S/C38H51N5O3/c1-28(44)39-25-22-29-27-42-34-21-20-30(26-33(29)34)46-38(45)41-24-15-9-7-5-3-2-4-6-8-14-23-40-37-31-16-10-12-18-35(31)43-36-19-13-11-17-32(36)37/h10,12,16,18,20-21,26-27,42H,2-9,11,13-15,17,19,22-25H2,1H3,(H,39,44)(H,40,43)(H,41,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM132080 (US8841453, 11) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCNc3c4CCCCc4nc4ccccc34)cc12 Show InChI InChI=1S/C34H43N5O3/c1-24(40)35-21-18-25-23-38-30-17-16-26(22-29(25)30)42-34(41)37-20-11-5-3-2-4-10-19-36-33-27-12-6-8-14-31(27)39-32-15-9-7-13-28(32)33/h6,8,12,14,16-17,22-23,38H,2-5,7,9-11,13,15,18-21H2,1H3,(H,35,40)(H,36,39)(H,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM132071 (US8841453, 1) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4CCCCc4nc4ccccc34)cc12 Show InChI InChI=1S/C33H41N5O3/c1-23(39)34-20-17-24-22-37-29-16-15-25(21-28(24)29)41-33(40)36-19-10-4-2-3-9-18-35-32-26-11-5-7-13-30(26)38-31-14-8-6-12-27(31)32/h5,7,11,13,15-16,21-22,37H,2-4,6,8-10,12,14,17-20H2,1H3,(H,34,39)(H,35,38)(H,36,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM132083 (US8841453, 14) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCNc3c4CCCCc4nc4ccccc34)cc12 Show InChI InChI=1S/C36H47N5O3/c1-26(42)37-23-20-27-25-40-32-19-18-28(24-31(27)32)44-36(43)39-22-13-7-5-3-2-4-6-12-21-38-35-29-14-8-10-16-33(29)41-34-17-11-9-15-30(34)35/h8,10,14,16,18-19,24-25,40H,2-7,9,11-13,15,17,20-23H2,1H3,(H,37,42)(H,38,41)(H,39,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575599 (CHEMBL4848140) Show SMILES Cc1sc(cc1C1OCCc2ccccc12)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575592 (CHEMBL4860917) Show SMILES CC(N)(c1csc(c1)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1)c1cccc(Cl)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575587 (CHEMBL4852516) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(C(O)c2cccc(Cl)c2)c(Cl)s1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575586 (CHEMBL4848442) Show SMILES Cc1sc(cc1C(O)c1cccc(Cl)c1)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM132074 (US8841453, 4) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)cc12 Show InChI InChI=1S/C33H40ClN5O3/c1-22(40)35-18-15-23-21-38-29-14-12-25(20-28(23)29)42-33(41)37-17-8-4-2-3-7-16-36-32-26-9-5-6-10-30(26)39-31-19-24(34)11-13-27(31)32/h11-14,19-21,38H,2-10,15-18H2,1H3,(H,35,40)(H,36,39)(H,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575594 (CHEMBL4856793) Show SMILES Cc1sc(cc1C1OCCc2ccc(Cl)cc12)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575568 (CHEMBL4870385) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2cccc(Br)c2)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575604 (CHEMBL4873956) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(C2NCCc3ccc(Cl)cc23)c(Cl)s1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575594 (CHEMBL4856793) Show SMILES Cc1sc(cc1C1OCCc2ccc(Cl)cc12)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575596 (CHEMBL4848114) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(cs1)[C@@H]1OCCc2ccccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair				3D Structure (crystal)
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575589 (CHEMBL4877684) Show SMILES NC(c1cc(sc1Cl)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1)c1cccc(Cl)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575597 (CHEMBL4861509) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(cs1)C1OCCc2ccc(Cl)cc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575579 (CHEMBL4847817) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2cccc(Br)c2)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575565 (CHEMBL4864280) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2cccc(Cl)c2)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575576 (CHEMBL4874906) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2cccc(Br)n2)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM132088 (US8841453, 17) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCCCNc3c4CCCCc4nc4ccc(Cl)cc34)cc12 Show InChI InChI=1S/C38H50ClN5O3/c1-27(45)40-23-20-28-26-43-34-19-17-30(25-32(28)34)47-38(46)42-22-13-9-7-5-3-2-4-6-8-12-21-41-37-31-14-10-11-15-35(31)44-36-18-16-29(39)24-33(36)37/h16-19,24-26,43H,2-15,20-23H2,1H3,(H,40,45)(H,41,44)(H,42,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575606 (CHEMBL4856040) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(cs1)C1NCCc2ccc(Cl)cc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM132081 (US8841453, 12) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4CCCCc4nc4ccc(Cl)cc34)cc12 Show InChI InChI=1S/C33H40ClN5O3/c1-22(40)35-18-15-23-21-38-29-14-12-25(20-27(23)29)42-33(41)37-17-8-4-2-3-7-16-36-32-26-9-5-6-10-30(26)39-31-13-11-24(34)19-28(31)32/h11-14,19-21,38H,2-10,15-18H2,1H3,(H,35,40)(H,36,39)(H,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575595 (CHEMBL4849766) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(C2OCCc3ccc(Cl)cc23)c(Cl)s1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575575 (CHEMBL4870143) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2cccc(Cl)n2)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575555 (CHEMBL4878088) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2ccn(Cc3ccccc3)n2)[C@H](O)[C@@H]1O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair				3D Structure (crystal)
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM462705 (US10780090, Compound I-43 | {(1R,2S,4R)-4-[(5-{[4-...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(Cc2cccc(Cl)c2)cs1 Show InChI InChI=1S/C22H23ClN4O5S2/c23-16-3-1-2-13(5-16)4-14-6-20(33-11-14)21(29)18-9-25-12-26-22(18)27-17-7-15(19(28)8-17)10-32-34(24,30)31/h1-3,5-6,9,11-12,15,17,19,28H,4,7-8,10H2,(H2,24,30,31)(H,25,26,27)/t15-,17-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575581 (CHEMBL4860263) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(cs1)C(O)c1cccc(Cl)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575605 (CHEMBL4865157) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(cs1)C1NCCc2ccccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM462958 (US10780090, Compound I-263a | US10780090, Compound...) Show SMILES Cc1sc(cc1[C@@H]1NCCc2ccc(Cl)cc12)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 Show InChI InChI=1S/C25H28ClN5O5S2/c1-13-18(23-19-7-16(26)3-2-14(19)4-5-29-23)9-22(37-13)24(33)20-10-28-12-30-25(20)31-17-6-15(21(32)8-17)11-36-38(27,34)35/h2-3,7,9-10,12,15,17,21,23,29,32H,4-6,8,11H2,1H3,(H2,27,34,35)(H,28,30,31)/t15-,17-,21+,23+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575581 (CHEMBL4860263) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(cs1)C(O)c1cccc(Cl)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575571 (CHEMBL4861240) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2cccc(c2)C(F)(F)F)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575570 (CHEMBL4865787) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2cccc(c2)C#C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair

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