Compile Data Set for Download or QSAR

Found 689 hits with Last Name = 'duffey' and Initial = 'mo'   

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))	BDBM50339608 (3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...) Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RET				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50362985 (CHEMBL1945502) Show SMILES COc1ccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)cc1CCCN(C)C Show InChI InChI=1S/C24H26ClN5OS/c1-30(2)10-4-5-15-11-18(7-9-21(15)31-3)27-24-26-14-16-12-22(32)28-20-13-17(25)6-8-19(20)23(16)29-24/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,28,32)(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of KDR				J Med Chem 55: 197-208 (2012) Article DOI: 10.1021/jm2011172 BindingDB Entry DOI: 10.7270/Q21C1XBR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50339609 (3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...) Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Abl1				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50339609 (3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...) Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RET				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50339609 (3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...) Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of C-Raf				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50339608 (3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...) Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of C-Raf				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50339609 (3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...) Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of DDR2				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50339615 ((2S)-7-({2-[(Cyclopropylcarbonyl)amino]pyridin-4-y...) Show SMILES CN(C)Cc1cc(NC(=O)[C@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C30H31F3N4O3/c1-37(2)17-18-11-23(30(31,32)33)15-24(12-18)35-29(39)21-6-3-19-7-8-25(14-22(19)13-21)40-26-9-10-34-27(16-26)36-28(38)20-4-5-20/h7-12,14-16,20-21H,3-6,13,17H2,1-2H3,(H,35,39)(H,34,36,38)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of C-Raf assessed as reduction in [33P]ATP incorporation into biotinylated substrate peptide after 3 hrs by flash plate assay				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50339608 (3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...) Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of wild-type B-Raf				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50339613 ((2S)-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]...) Show SMILES NCc1cc(NC(=O)[C@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C28H27F3N4O3/c29-28(30,31)21-9-16(15-32)10-22(13-21)34-27(37)19-4-1-17-5-6-23(12-20(17)11-19)38-24-7-8-33-25(14-24)35-26(36)18-2-3-18/h5-10,12-14,18-19H,1-4,11,15,32H2,(H,34,37)(H,33,35,36)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of C-Raf assessed as reduction in [33P]ATP incorporation into biotinylated substrate peptide after 3 hrs by flash plate assay				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50339616 (7-({2-[(Cyclopropylcarbonyl)amino]pyridin-4-yl}oxy...) Show SMILES CC(C)NCc1cc(NC(=O)C2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(c1)C(F)(F)F Show InChI InChI=1S/C31H33F3N4O3/c1-18(2)36-17-19-11-24(31(32,33)34)15-25(12-19)37-30(40)22-6-3-20-7-8-26(14-23(20)13-22)41-27-9-10-35-28(16-27)38-29(39)21-4-5-21/h7-12,14-16,18,21-22,36H,3-6,13,17H2,1-2H3,(H,37,40)(H,35,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of C-Raf assessed as reduction in [33P]ATP incorporation into biotinylated substrate peptide after 3 hrs by flash plate assay				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50339609 (3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...) Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of wild-type B-Raf				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human))	BDBM50362985 (CHEMBL1945502) Show SMILES COc1ccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)cc1CCCN(C)C Show InChI InChI=1S/C24H26ClN5OS/c1-30(2)10-4-5-15-11-18(7-9-21(15)31-3)27-24-26-14-16-12-22(32)28-20-13-17(25)6-8-19(20)23(16)29-24/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,28,32)(H,26,27,29)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of PLK3				J Med Chem 55: 197-208 (2012) Article DOI: 10.1021/jm2011172 BindingDB Entry DOI: 10.7270/Q21C1XBR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human))	BDBM50362988 (CHEMBL1945500) Show SMILES CN(C)CCCc1cc(Cl)cc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C23H23Cl2N5S/c1-30(2)7-3-4-14-8-17(25)11-18(9-14)27-23-26-13-15-10-21(31)28-20-12-16(24)5-6-19(20)22(15)29-23/h5-6,8-9,11-13H,3-4,7,10H2,1-2H3,(H,28,31)(H,26,27,29)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of PLK3				J Med Chem 55: 197-208 (2012) Article DOI: 10.1021/jm2011172 BindingDB Entry DOI: 10.7270/Q21C1XBR
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50339611 ((2S)-7-{[2-(acetylamino)pyridin-4-yl]oxy}-N-[3-(am...) Show SMILES CC(=O)Nc1cc(Oc2ccc3CC[C@@H](Cc3c2)C(=O)Nc2cc(CN)cc(c2)C(F)(F)F)ccn1 |r| Show InChI InChI=1S/C26H25F3N4O3/c1-15(34)32-24-13-23(6-7-31-24)36-22-5-4-17-2-3-18(10-19(17)11-22)25(35)33-21-9-16(14-30)8-20(12-21)26(27,28)29/h4-9,11-13,18H,2-3,10,14,30H2,1H3,(H,33,35)(H,31,32,34)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of C-Raf assessed as reduction in [33P]ATP incorporation into biotinylated substrate peptide after 3 hrs by flash plate assay				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50339614 ((2R)-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]...) Show SMILES NCc1cc(NC(=O)[C@@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C28H27F3N4O3/c29-28(30,31)21-9-16(15-32)10-22(13-21)34-27(37)19-4-1-17-5-6-23(12-20(17)11-19)38-24-7-8-33-25(14-24)35-26(36)18-2-3-18/h5-10,12-14,18-19H,1-4,11,15,32H2,(H,34,37)(H,33,35,36)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of C-Raf assessed as reduction in [33P]ATP incorporation into biotinylated substrate peptide after 3 hrs by flash plate assay				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of C-Raf				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50339608 (3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...) Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of KDR				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50339612 (CHEMBL1688868 | N-[3-(Aminomethyl)-5-(trifluoromet...) Show SMILES NCc1cc(NC(=O)C2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H27F3N4O3/c29-28(30,31)21-9-16(15-32)10-22(13-21)34-27(37)19-4-1-17-5-6-23(12-20(17)11-19)38-24-7-8-33-25(14-24)35-26(36)18-2-3-18/h5-10,12-14,18-19H,1-4,11,15,32H2,(H,34,37)(H,33,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of C-Raf assessed as reduction in [33P]ATP incorporation into biotinylated substrate peptide after 3 hrs by flash plate assay				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50339608 (3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...) Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of DDR2				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human))	BDBM50362986 (CHEMBL1945501) Show SMILES CN(C)CCCc1cc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)ccc1F Show InChI InChI=1S/C23H23ClFN5S/c1-30(2)9-3-4-14-10-17(6-8-19(14)25)27-23-26-13-15-11-21(31)28-20-12-16(24)5-7-18(20)22(15)29-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,28,31)(H,26,27,29)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of PLK3				J Med Chem 55: 197-208 (2012) Article DOI: 10.1021/jm2011172 BindingDB Entry DOI: 10.7270/Q21C1XBR
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50339623 (4-[3-(3-{[4-Chloro-3-(trifluoromethyl)phenyl]amino...) Show SMILES CNC(=O)c1cc(Oc2cccc(CCC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2)ccn1 Show InChI InChI=1S/C23H19ClF3N3O3/c1-28-22(32)20-13-17(9-10-29-20)33-16-4-2-3-14(11-16)5-8-21(31)30-15-6-7-19(24)18(12-15)23(25,26)27/h2-4,6-7,9-13H,5,8H2,1H3,(H,28,32)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of C-Raf assessed as reduction in [33P]ATP incorporation into biotinylated substrate peptide after 3 hrs by flash plate assay				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human))	BDBM50362984 (CHEMBL1945801) Show SMILES CN(C)CCCc1cc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)ccc1C(F)(F)F Show InChI InChI=1S/C24H23ClF3N5S/c1-33(2)9-3-4-14-10-17(6-8-19(14)24(26,27)28)30-23-29-13-15-11-21(34)31-20-12-16(25)5-7-18(20)22(15)32-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,31,34)(H,29,30,32)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of PLK3				J Med Chem 55: 197-208 (2012) Article DOI: 10.1021/jm2011172 BindingDB Entry DOI: 10.7270/Q21C1XBR
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462804 (US10780090, Compound I-132 | [(1R,2S,4R)-2-hydroxy...) Show SMILES Cc1ccc2ccn(Cc3csc(c3)C(=O)c3cncnc3N[C@H]3C[C@H](O)[C@@H](COS(N)(=O)=O)C3)c2c1 Show InChI InChI=1S/C25H27N5O5S2/c1-15-2-3-17-4-5-30(21(17)6-15)11-16-7-23(36-13-16)24(32)20-10-27-14-28-25(20)29-19-8-18(22(31)9-19)12-35-37(26,33)34/h2-7,10,13-14,18-19,22,31H,8-9,11-12H2,1H3,(H2,26,33,34)(H,27,28,29)/t18-,19-,22+/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462805 (US10780090, Compound I-134 | [(1R,2R,3S,4R)-2,3-di...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2ccc(o2)-c2ccccc2)[C@H](O)[C@@H]1O Show InChI InChI=1S/C21H22N4O7S/c22-33(29,30)31-10-13-8-15(20(28)18(13)26)25-21-14(9-23-11-24-21)19(27)17-7-6-16(32-17)12-4-2-1-3-5-12/h1-7,9,11,13,15,18,20,26,28H,8,10H2,(H2,22,29,30)(H,23,24,25)/t13-,15-,18-,20+/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462806 (US10780090, Compound I-135 | US10780090, Compound ...) Show SMILES C[C@@H](c1cc(sc1C)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1)c1cccc(Cl)c1 Show InChI InChI=1S/C24H27ClN4O5S2/c1-13(15-4-3-5-17(25)6-15)19-9-22(35-14(19)2)23(31)20-10-27-12-28-24(20)29-18-7-16(21(30)8-18)11-34-36(26,32)33/h3-6,9-10,12-13,16,18,21,30H,7-8,11H2,1-2H3,(H2,26,32,33)(H,27,28,29)/t13-,16-,18-,21+/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462809 (US10780090, Compound I-136 | [(1R,2S,4R)-4-{[5-({5...) Show SMILES C[C@H](c1cc(sc1C)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1)c1cccc(Cl)c1 Show InChI InChI=1S/C24H27ClN4O5S2/c1-13(15-4-3-5-17(25)6-15)19-9-22(35-14(19)2)23(31)20-10-27-12-28-24(20)29-18-7-16(21(30)8-18)11-34-36(26,32)33/h3-6,9-10,12-13,16,18,21,30H,7-8,11H2,1-2H3,(H2,26,32,33)(H,27,28,29)/t13-,16+,18+,21-/m0/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462810 (US10780090, Compound I-137 | {(1R,2S,4R)-2-hydroxy...) Show SMILES Cc1sc(cc1Sc1ccccc1)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 Show InChI InChI=1S/C22H24N4O5S3/c1-13-19(33-16-5-3-2-4-6-16)9-20(32-13)21(28)17-10-24-12-25-22(17)26-15-7-14(18(27)8-15)11-31-34(23,29)30/h2-6,9-10,12,14-15,18,27H,7-8,11H2,1H3,(H2,23,29,30)(H,24,25,26)/t14-,15-,18+/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462811 (US10780090, Compound I-138 | [(1R,2S,4R)-4-({5-[(4...) Show SMILES CN(Cc1csc(c1)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1)c1cccc(Cl)c1 Show InChI InChI=1S/C23H26ClN5O5S2/c1-29(18-4-2-3-16(24)7-18)10-14-5-21(35-12-14)22(31)19-9-26-13-27-23(19)28-17-6-15(20(30)8-17)11-34-36(25,32)33/h2-5,7,9,12-13,15,17,20,30H,6,8,10-11H2,1H3,(H2,25,32,33)(H,26,27,28)/t15-,17-,20+/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462812 (US10780090, Compound I-139 | [(1R,2S,4R)-4-{[5-(4,...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(Cc2ccccc2)c(Cc2ccccc2)o1 Show InChI InChI=1S/C29H30N4O6S/c30-40(36,37)38-17-22-13-23(15-25(22)34)33-29-24(16-31-18-32-29)28(35)27-14-21(11-19-7-3-1-4-8-19)26(39-27)12-20-9-5-2-6-10-20/h1-10,14,16,18,22-23,25,34H,11-13,15,17H2,(H2,30,36,37)(H,31,32,33)/t22-,23-,25+/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462813 (US10780090, Compound I-140 | {(1R,2S,4R)-4-[(5-{[4...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(CC2=CCCCC2)cs1 |t:27| Show InChI InChI=1S/C22H28N4O5S2/c23-33(29,30)31-11-16-8-17(9-19(16)27)26-22-18(10-24-13-25-22)21(28)20-7-15(12-32-20)6-14-4-2-1-3-5-14/h4,7,10,12-13,16-17,19,27H,1-3,5-6,8-9,11H2,(H2,23,29,30)(H,24,25,26)/t16-,17-,19+/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462814 (US10780090, Compound I-141 | [(1R,2S,4R)-4-{[5-({5...) Show SMILES CC(=C)[C@H](O)c1cc(sc1Cl)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 Show InChI InChI=1S/C19H23ClN4O6S2/c1-9(2)16(26)12-5-15(31-18(12)20)17(27)13-6-22-8-23-19(13)24-11-3-10(14(25)4-11)7-30-32(21,28)29/h5-6,8,10-11,14,16,25-26H,1,3-4,7H2,2H3,(H2,21,28,29)(H,22,23,24)/t10-,11-,14+,16+/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462815 (US10780090, Compound I-142 | {(1R,2S,4R)-4-[(5-{[5...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(CO)c(Cc2cccc(Cl)c2)s1 Show InChI InChI=1S/C23H25ClN4O6S2/c24-16-3-1-2-13(4-16)5-20-14(10-29)7-21(35-20)22(31)18-9-26-12-27-23(18)28-17-6-15(19(30)8-17)11-34-36(25,32)33/h1-4,7,9,12,15,17,19,29-30H,5-6,8,10-11H2,(H2,25,32,33)(H,26,27,28)/t15-,17-,19+/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462816 (US10780090, Compound I-143 | [(1R,2S,4R)-4-{[5-({4...) Show SMILES Cc1sc(cc1Sc1cccc(Cl)c1)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 Show InChI InChI=1S/C22H23ClN4O5S3/c1-12-19(34-16-4-2-3-14(23)6-16)8-20(33-12)21(29)17-9-25-11-26-22(17)27-15-5-13(18(28)7-15)10-32-35(24,30)31/h2-4,6,8-9,11,13,15,18,28H,5,7,10H2,1H3,(H2,24,30,31)(H,25,26,27)/t13-,15-,18+/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462817 (US10780090, Compound I-144 | [(1R,2S,4R)-4-({5-[(4...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(Cc2ccccc2)c(Cc2ccccc2)s1 Show InChI InChI=1S/C29H30N4O5S2/c30-40(36,37)38-17-22-13-23(15-25(22)34)33-29-24(16-31-18-32-29)28(35)27-14-21(11-19-7-3-1-4-8-19)26(39-27)12-20-9-5-2-6-10-20/h1-10,14,16,18,22-23,25,34H,11-13,15,17H2,(H2,30,36,37)(H,31,32,33)/t22-,23-,25+/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462818 (US10780090, Compound I-145 | [(1R,2S,4R)-2-hydroxy...) Show SMILES Cc1sc(cc1Sc1cccc(c1)C(F)(F)F)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 Show InChI InChI=1S/C23H23F3N4O5S3/c1-12-19(37-16-4-2-3-14(6-16)23(24,25)26)8-20(36-12)21(32)17-9-28-11-29-22(17)30-15-5-13(18(31)7-15)10-35-38(27,33)34/h2-4,6,8-9,11,13,15,18,31H,5,7,10H2,1H3,(H2,27,33,34)(H,28,29,30)/t13-,15-,18+/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462819 (US10780090, Compound I-146 | [(1R,2S,4R)-4-{[5-({4...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(CCc2cccc(Cl)c2)cs1 Show InChI InChI=1S/C23H25ClN4O5S2/c24-17-3-1-2-14(6-17)4-5-15-7-21(34-12-15)22(30)19-10-26-13-27-23(19)28-18-8-16(20(29)9-18)11-33-35(25,31)32/h1-3,6-7,10,12-13,16,18,20,29H,4-5,8-9,11H2,(H2,25,31,32)(H,26,27,28)/t16-,18-,20+/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462820 (US10780090, Compound I-147 | [(1R,2S,4R)-4-({5-[(4...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(CSc2ccccc2Cl)cs1 Show InChI InChI=1S/C22H23ClN4O5S3/c23-17-3-1-2-4-19(17)33-10-13-5-20(34-11-13)21(29)16-8-25-12-26-22(16)27-15-6-14(18(28)7-15)9-32-35(24,30)31/h1-5,8,11-12,14-15,18,28H,6-7,9-10H2,(H2,24,30,31)(H,25,26,27)/t14-,15-,18+/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462821 (US10780090, Compound I-148 | [(1R,2S,4R)-4-{[5-({4...) Show SMILES Cc1sc(cc1Cn1cc(Br)cc1C#N)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 Show InChI InChI=1S/C22H23BrN6O5S2/c1-12-13(8-29-9-15(23)4-17(29)6-24)3-20(35-12)21(31)18-7-26-11-27-22(18)28-16-2-14(19(30)5-16)10-34-36(25,32)33/h3-4,7,9,11,14,16,19,30H,2,5,8,10H2,1H3,(H2,25,32,33)(H,26,27,28)/t14-,16-,19+/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462822 (US10780090, Compound I-149 | [(1R,2S,4R)-4-{[5-({5...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc([C@H](O)c2cc(Cl)ccc2Cl)c(Cl)s1 Show InChI InChI=1S/C22H21Cl3N4O6S2/c23-11-1-2-16(24)13(4-11)19(31)14-6-18(36-21(14)25)20(32)15-7-27-9-28-22(15)29-12-3-10(17(30)5-12)8-35-37(26,33)34/h1-2,4,6-7,9-10,12,17,19,30-31H,3,5,8H2,(H2,26,33,34)(H,27,28,29)/t10-,12-,17+,19-/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462823 (US10780090, Compound I-150 | [(1R,2S,4R)-4-{[5-({5...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc([C@H](O)C#CC2CC2)c(Cl)s1 Show InChI InChI=1S/C21H23ClN4O6S2/c22-20-14(16(27)4-3-11-1-2-11)7-18(33-20)19(29)15-8-24-10-25-21(15)26-13-5-12(17(28)6-13)9-32-34(23,30)31/h7-8,10-13,16-17,27-28H,1-2,5-6,9H2,(H2,23,30,31)(H,24,25,26)/t12-,13-,16-,17+/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462826 (US10780090, Compound I-151b | US10780090, Compound...) Show SMILES Cc1sc(cc1[C@H]1OCCc2ccccc12)C(=O)c1cncnc1N[C@@H]1C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C25H28N4O7S2/c1-13-17(24-16-5-3-2-4-14(16)6-7-35-24)9-20(37-13)22(31)18-10-27-12-28-25(18)29-19-8-15(21(30)23(19)32)11-36-38(26,33)34/h2-5,9-10,12,15,19,21,23-24,30,32H,6-8,11H2,1H3,(H2,26,33,34)(H,27,28,29)/t15-,19-,21-,23+,24+/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462827 (US10780090, Compound I-152 | [(1R,2S,4R)-4-{[5-({5...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(Cl)c(s1)[C@@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C22H22Cl2N4O6S2/c23-13-3-1-2-11(4-13)19(30)21-16(24)7-18(35-21)20(31)15-8-26-10-27-22(15)28-14-5-12(17(29)6-14)9-34-36(25,32)33/h1-4,7-8,10,12,14,17,19,29-30H,5-6,9H2,(H2,25,32,33)(H,26,27,28)/t12-,14-,17+,19+/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462828 (US10780090, Compound I-153 | US10780090, Compound ...) Show SMILES C[C@@](O)(c1ccc(s1)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1)c1cccc(Cl)c1 Show InChI InChI=1S/C23H25ClN4O6S2/c1-23(31,14-3-2-4-15(24)8-14)20-6-5-19(35-20)21(30)17-10-26-12-27-22(17)28-16-7-13(18(29)9-16)11-34-36(25,32)33/h2-6,8,10,12-13,16,18,29,31H,7,9,11H2,1H3,(H2,25,32,33)(H,26,27,28)/t13-,16-,18+,23+/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462831 (US10780090, Compound I-154 | [(1R,2S,4R)-4-{[5-({4...) Show SMILES CN(C)[C@H](c1csc(c1)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1)c1cccc(Cl)c1 Show InChI InChI=1S/C24H28ClN5O5S2/c1-30(2)22(14-4-3-5-17(25)6-14)16-8-21(36-12-16)23(32)19-10-27-13-28-24(19)29-18-7-15(20(31)9-18)11-35-37(26,33)34/h3-6,8,10,12-13,15,18,20,22,31H,7,9,11H2,1-2H3,(H2,26,33,34)(H,27,28,29)/t15-,18-,20+,22+/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462832 (US10780090, Compound I-155 | {(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)c2Cl)cs1 Show InChI InChI=1S/C22H22Cl2N4O5S2/c23-17-3-1-2-13(20(17)24)4-12-5-19(34-10-12)21(30)16-8-26-11-27-22(16)28-15-6-14(18(29)7-15)9-33-35(25,31)32/h1-3,5,8,10-11,14-15,18,29H,4,6-7,9H2,(H2,25,31,32)(H,26,27,28)/t14-,15-,18+/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462833 (US10780090, Compound I-156 | [(1R,2S,4R)-4-{[5-({4...) Show SMILES CCOc1ccccc1OCc1csc(c1)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 Show InChI InChI=1S/C24H28N4O7S2/c1-2-33-20-5-3-4-6-21(20)34-11-15-7-22(36-13-15)23(30)18-10-26-14-27-24(18)28-17-8-16(19(29)9-17)12-35-37(25,31)32/h3-7,10,13-14,16-17,19,29H,2,8-9,11-12H2,1H3,(H2,25,31,32)(H,26,27,28)/t16-,17-,19+/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462834 (US10780090, Compound I-157 | {(1R,2S,4R)-4-[(5-{[4...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(Cc2ccc(Cl)cc2)cs1 Show InChI InChI=1S/C22H23ClN4O5S2/c23-16-3-1-13(2-4-16)5-14-6-20(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/h1-4,6,9,11-12,15,17,19,28H,5,7-8,10H2,(H2,24,30,31)(H,25,26,27)/t15-,17-,19+/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462835 (US10780090, Compound I-158 | [(1R,2R,3S,4R)-4-({5-...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2ccc(o2)-c2ccccc2Cl)[C@H](O)[C@@H]1O Show InChI InChI=1S/C21H21ClN4O7S/c22-14-4-2-1-3-12(14)16-5-6-17(33-16)19(28)13-8-24-10-25-21(13)26-15-7-11(18(27)20(15)29)9-32-34(23,30)31/h1-6,8,10-11,15,18,20,27,29H,7,9H2,(H2,23,30,31)(H,24,25,26)/t11-,15-,18-,20+/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM462836 (US10780090, Compound I-159 | [(1R,2S,4R)-4-{[5-({4...) Show SMILES Cc1sc(cc1CN1CCc2cc(Cl)ccc12)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 Show InChI InChI=1S/C25H28ClN5O5S2/c1-14-16(11-31-5-4-15-6-18(26)2-3-21(15)31)8-23(37-14)24(33)20-10-28-13-29-25(20)30-19-7-17(22(32)9-19)12-36-38(27,34)35/h2-3,6,8,10,13,17,19,22,32H,4-5,7,9,11-12H2,1H3,(H2,27,34,35)(H,28,29,30)/t17-,19-,22+/m1/s1	PDB MMDB Reactome pathway 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 The SAE enzymatic reaction totals 50 μl and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 μM ATP, 250 μM GSH, 0...				US Patent US10780090 (2020) BindingDB Entry DOI: 10.7270/Q29Z980S
					More data for this Ligand-Target Pair

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