Compile Data Set for Download or QSAR

Found 491 hits Enz. Inhib. hit(s) with all data for entry = 8731   

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
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415317 (Preparation of 3-{[2-(hydroxymethyl)phenyl]amino}-...) Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3CO)c2C(=O)C1)-c1ccncc1 Show InChI InChI=1S/C22H23N3O2/c1-22(2)11-17-19(18(27)12-22)21(20(25-17)14-7-9-23-10-8-14)24-16-6-4-3-5-15(16)13-26/h3-10,24-26H,11-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.58	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415374 (Preparation of 3-{[5-fluoro-2-(hydroxymethyl)pheny...) Show SMILES CC1(C)Cc2[nH]c(c(Nc3cc(F)ccc3CO)c2C(=O)C1)-c1ccncc1 Show InChI InChI=1S/C22H22FN3O2/c1-22(2)10-17-19(18(28)11-22)21(20(26-17)13-5-7-24-8-6-13)25-16-9-15(23)4-3-14(16)12-27/h3-9,25-27H,10-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.35	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415373 (Preparation of 3-{[3-fluoro-2-(hydroxymethyl)pheny...) Show SMILES CC1(C)Cc2[nH]c(c(Nc3cccc(F)c3CO)c2C(=O)C1)-c1ccncc1 Show InChI InChI=1S/C22H22FN3O2/c1-22(2)10-17-19(18(28)11-22)21(20(26-17)13-6-8-24-9-7-13)25-16-5-3-4-15(23)14(16)12-27/h3-9,25-27H,10-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.45	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415303 (Intermediate 1-2-69 | US10428044, Example 410) Show SMILES COCCOc1cnccc1CNC1=C(C(=S)Nc2ccccc2)C(=O)CC(C)(C)C1 |c:14| Show InChI InChI=1S/C24H29N3O3S/c1-24(2)13-19(26-15-17-9-10-25-16-21(17)30-12-11-29-3)22(20(28)14-24)23(31)27-18-7-5-4-6-8-18/h4-10,16,26H,11-15H2,1-3H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.55	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415283 (Preparation of 1-(1-methyl-1H-pyrazol-4-yl)-3-{4-[...) Show SMILES Cn1cc(NC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)cn1 Show InChI InChI=1S/C24H23N7O2/c1-31-14-17(13-26-31)28-24(33)30-20-12-15(10-11-25-20)22-23(27-16-6-3-2-4-7-16)21-18(29-22)8-5-9-19(21)32/h2-4,6-7,10-14,27,29H,5,8-9H2,1H3,(H2,25,28,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.96	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM414909 (Preparation of 3-(phenylamino)-6-(propan-2-yl)-2-(...) Show SMILES CC(C)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.04	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415365 (Preparation of 1-benzyl-N-{4-[6,6-dimethyl-4-oxo-3...) Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cnn(Cc3ccccc3)c2)c1 Show InChI InChI=1S/C32H30N6O2/c1-32(2)16-25-28(26(39)17-32)30(35-24-11-7-4-8-12-24)29(36-25)22-13-14-33-27(15-22)37-31(40)23-18-34-38(20-23)19-21-9-5-3-6-10-21/h3-15,18,20,35-36H,16-17,19H2,1-2H3,(H,33,37,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.23	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415336 (Preparation of 1-benzyl-N-{4-[4-oxo-3-(phenylamino...) Show SMILES O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C30H26N6O2/c37-25-13-7-12-24-27(25)29(33-23-10-5-2-6-11-23)28(34-24)21-14-15-31-26(16-21)35-30(38)22-17-32-36(19-22)18-20-8-3-1-4-9-20/h1-6,8-11,14-17,19,33-34H,7,12-13,18H2,(H,31,35,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.38	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415357 (Preparation of N-{4-[4′-oxo-3′-(phenyl...) Show SMILES O=C(Nc1cc(ccn1)-c1[nH]c2CC3(CC3)CC(=O)c2c1Nc1ccccc1)c1cocn1 Show InChI InChI=1S/C25H21N5O3/c31-19-12-25(7-8-25)11-17-21(19)23(28-16-4-2-1-3-5-16)22(29-17)15-6-9-26-20(10-15)30-24(32)18-13-33-14-27-18/h1-6,9-10,13-14,28-29H,7-8,11-12H2,(H,26,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.49	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415284 (Preparation of 1-{4-[6,6-dimethyl-4-oxo-3-(phenyla...) Show SMILES Cn1cc(NC(=O)Nc2cc(ccn2)-c2[nH]c3CC(C)(C)CC(=O)c3c2Nc2ccccc2)cn1 Show InChI InChI=1S/C26H27N7O2/c1-26(2)12-19-22(20(34)13-26)24(29-17-7-5-4-6-8-17)23(31-19)16-9-10-27-21(11-16)32-25(35)30-18-14-28-33(3)15-18/h4-11,14-15,29,31H,12-13H2,1-3H3,(H2,27,30,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.52	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415331 (2-{[(2-aminopyridin-4-yl)methyl]amino}-4-({[tert-b...) Show SMILES CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CCl)CC(=O)c2c1Nc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.61	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415353 (Preparation of rel-(R,S)-2-fluoro-N-{4-[4′-o...) Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@H]2C[C@@H]2F)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.03	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415359 (Preparation of 1-tert-butyl-N-{4-[6,6-dimethyl-4-o...) Show SMILES CC(C)(C)n1cc(cn1)C(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1 Show InChI InChI=1S/C29H32N6O2/c1-28(2,3)35-17-19(16-31-35)27(37)34-23-13-18(11-12-30-23)25-26(32-20-9-7-6-8-10-20)24-21(33-25)14-29(4,5)15-22(24)36/h6-13,16-17,32-33H,14-15H2,1-5H3,(H,30,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.04	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415330 (Preparation of 6-(chloromethyl)-3-(phenylamino)-2-...) Show SMILES ClCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.05	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM414909 (Preparation of 3-(phenylamino)-6-(propan-2-yl)-2-(...) Show SMILES CC(C)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.09	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415366 (Preparation of N-{4-[6,6-dimethyl-4-oxo-3-(phenyla...) Show SMILES COc1ccc(Cn2cc(cn2)C(=O)Nc2cc(ccn2)-c2[nH]c3CC(C)(C)CC(=O)c3c2Nc2ccccc2)cc1 Show InChI InChI=1S/C33H32N6O3/c1-33(2)16-26-29(27(40)17-33)31(36-24-7-5-4-6-8-24)30(37-26)22-13-14-34-28(15-22)38-32(41)23-18-35-39(20-23)19-21-9-11-25(42-3)12-10-21/h4-15,18,20,36-37H,16-17,19H2,1-3H3,(H,34,38,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.09	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415379 (Preparation of N-{4-[4-oxo-3-(phenylamino)-4,5,6,7...) Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)COCc2cccnc2)c1 Show InChI InChI=1S/C29H29N5O3/c1-29(2)14-22-26(23(35)15-29)28(32-21-8-4-3-5-9-21)27(33-22)20-10-12-31-24(13-20)34-25(36)18-37-17-19-7-6-11-30-16-19/h3-13,16,32-33H,14-15,17-18H2,1-2H3,(H,31,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.28	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM414932 (Preparation of 3-[(3,5-difluorophenyl)amino]-6,6-d...) Show SMILES CC1(C)Cc2[nH]c(c(Nc3cc(F)cc(F)c3)c2C(=O)C1)-c1ccncc1 Show InChI InChI=1S/C21H19F2N3O/c1-21(2)10-16-18(17(27)11-21)20(19(26-16)12-3-5-24-6-4-12)25-15-8-13(22)7-14(23)9-15/h3-9,25-26H,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.55	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM414909 (Preparation of 3-(phenylamino)-6-(propan-2-yl)-2-(...) Show SMILES CC(C)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.57	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM414931 (Preparation of 2-(3-fluoropyridin-4-yl)-6,6-dimeth...) Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F Show InChI InChI=1S/C21H20FN3O/c1-21(2)10-16-18(17(26)11-21)20(24-13-6-4-3-5-7-13)19(25-16)14-8-9-23-12-15(14)22/h3-9,12,24-25H,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.69	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415372 (Preparation of 3-{[4-fluoro-2-(hydroxymethyl)pheny...) Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccc(F)cc3CO)c2C(=O)C1)-c1ccncc1 Show InChI InChI=1S/C22H22FN3O2/c1-22(2)10-17-19(18(28)11-22)21(20(26-17)13-5-7-24-8-6-13)25-16-4-3-15(23)9-14(16)12-27/h3-9,25-27H,10-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.84	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM414929 (Preparation of 6-ethyl-3-(phenylamino)-2-(pyridin-...) Show SMILES CCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.93	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415391 (Preparation of N-{4-[6,6-dimethyl-4-oxo-3-(phenyla...) Show SMILES Cn1ccc(n1)C(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1 Show InChI InChI=1S/C26H26N6O2/c1-26(2)14-19-22(20(33)15-26)24(28-17-7-5-4-6-8-17)23(29-19)16-9-11-27-21(13-16)30-25(34)18-10-12-32(3)31-18/h4-13,28-29H,14-15H2,1-3H3,(H,27,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.14	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM414930 (Preparation of 6-(2-methylpropyl)-3-(phenylamino)-...) Show SMILES CC(C)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.17	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415244 (Preparation of 2-[(1-methyl-1H-pyrazol-5-yl)methox...) Show SMILES Cn1nccc1COCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1 Show InChI InChI=1S/C26H26N6O3/c1-32-19(11-13-28-32)15-35-16-23(34)31-22-14-17(10-12-27-22)25-26(29-18-6-3-2-4-7-18)24-20(30-25)8-5-9-21(24)33/h2-4,6-7,10-14,29-30H,5,8-9,15-16H2,1H3,(H,27,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.22	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415337 (Preparation of 1-(4-methoxybenzyl)-N-{4-[4-oxo-3-(...) Show SMILES COc1ccc(Cn2cc(cn2)C(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)cc1 Show InChI InChI=1S/C31H28N6O3/c1-40-24-12-10-20(11-13-24)18-37-19-22(17-33-37)31(39)36-27-16-21(14-15-32-27)29-30(34-23-6-3-2-4-7-23)28-25(35-29)8-5-9-26(28)38/h2-4,6-7,10-17,19,34-35H,5,8-9,18H2,1H3,(H,32,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.24	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM414900 (6,6-dimethyl-3-(phenylamino)-2-(pyridin-4- yl)-1,5...) Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 Show InChI InChI=1S/C21H21N3O/c1-21(2)12-16-18(17(25)13-21)20(23-15-6-4-3-5-7-15)19(24-16)14-8-10-22-11-9-14/h3-11,23-24H,12-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.25	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415367 (Preparation of N-{4-[6,6-dimethyl-4-oxo-3-(phenyla...) Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cncs2)c1 Show InChI InChI=1S/C25H23N5O2S/c1-25(2)11-17-21(18(31)12-25)23(28-16-6-4-3-5-7-16)22(29-17)15-8-9-27-20(10-15)30-24(32)19-13-26-14-33-19/h3-10,13-14,28-29H,11-12H2,1-2H3,(H,27,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415152 (Preparation of (S,R)—N-{4-[6,6-dimethyl-4-oxo-3-(p...) Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@@H]2C[C@H]2F)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.34	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415108 (Preparation of 2′-(3-fluoropyridin-4-yl)-3&#...) Show SMILES Fc1cnccc1-c1[nH]c2CC3(CC3)CC(=O)c2c1Nc1ccccc1 Show InChI InChI=1S/C21H18FN3O/c22-15-12-23-9-6-14(15)19-20(24-13-4-2-1-3-5-13)18-16(25-19)10-21(7-8-21)11-17(18)26/h1-6,9,12,24-25H,7-8,10-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.39	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415301 (Intermediate 1-2-68 | US10428044, Example 408) Show SMILES CC1(C)CC(=O)C(C(=S)Nc2ccccc2)=C(C1)NCc1ccncc1OCC(F)F |c:16| Show InChI InChI=1S/C23H25F2N3O2S/c1-23(2)10-17(27-12-15-8-9-26-13-19(15)30-14-20(24)25)21(18(29)11-23)22(31)28-16-6-4-3-5-7-16/h3-9,13,20,27H,10-12,14H2,1-2H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.42	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415248 (Preparation of 2-[(5-methyl-1,3-oxazol-2-yl)methox...) Show SMILES Cc1cnc(COCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)o1 Show InChI InChI=1S/C26H25N5O4/c1-16-13-28-23(35-16)15-34-14-22(33)31-21-12-17(10-11-27-21)25-26(29-18-6-3-2-4-7-18)24-19(30-25)8-5-9-20(24)32/h2-4,6-7,10-13,29-30H,5,8-9,14-15H2,1H3,(H,27,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.45	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415383 (Preparation of 2-[(4-methyl-1,3-thiazol-5-yl)metho...) Show SMILES Cc1ncsc1COCC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1 Show InChI InChI=1S/C28H29N5O3S/c1-17-22(37-16-30-17)14-36-15-24(35)33-23-11-18(9-10-29-23)26-27(31-19-7-5-4-6-8-19)25-20(32-26)12-28(2,3)13-21(25)34/h4-11,16,31-32H,12-15H2,1-3H3,(H,29,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.46	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415243 (Preparation of 2-[(3-methyl-1,2-oxazol-5-yl)methox...) Show SMILES Cc1cc(COCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)on1 Show InChI InChI=1S/C26H25N5O4/c1-16-12-19(35-31-16)14-34-15-23(33)30-22-13-17(10-11-27-22)25-26(28-18-6-3-2-4-7-18)24-20(29-25)8-5-9-21(24)32/h2-4,6-7,10-13,28-29H,5,8-9,14-15H2,1H3,(H,27,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.53	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM414915 (Preparation of 3′-(phenylamino)-2′-(py...) Show SMILES O=C1CC2(CCC2)Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1 Show InChI InChI=1S/C22H21N3O/c26-18-14-22(9-4-10-22)13-17-19(18)21(24-16-5-2-1-3-6-16)20(25-17)15-7-11-23-12-8-15/h1-3,5-8,11-12,24-25H,4,9-10,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.55	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415247 (Preparation of 2-[(5-methyl-1,2-oxazol-3-yl)methox...) Show SMILES Cc1cc(COCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)no1 Show InChI InChI=1S/C26H25N5O4/c1-16-12-19(31-35-16)14-34-15-23(33)30-22-13-17(10-11-27-22)25-26(28-18-6-3-2-4-7-18)24-20(29-25)8-5-9-21(24)32/h2-4,6-7,10-13,28-29H,5,8-9,14-15H2,1H3,(H,27,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.57	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415364 (Preparation of N-{4-[6,6-dimethyl-4-oxo-3-(phenyla...) Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C2CC2(F)F)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.62	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415167 (Preparation of N-{4-[6,6-dimethyl-4-oxo-3-(phenyla...) Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cscn2)c1 Show InChI InChI=1S/C25H23N5O2S/c1-25(2)11-17-21(19(31)12-25)23(28-16-6-4-3-5-7-16)22(29-17)15-8-9-26-20(10-15)30-24(32)18-13-33-14-27-18/h3-10,13-14,28-29H,11-12H2,1-2H3,(H,26,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.63	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415245 (Preparation of 2-(furan-2-ylmethoxy)-N-{4-[4-oxo-3...) Show SMILES O=C(COCc1ccco1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1 Show InChI InChI=1S/C26H24N4O4/c31-21-10-4-9-20-24(21)26(28-18-6-2-1-3-7-18)25(29-20)17-11-12-27-22(14-17)30-23(32)16-33-15-19-8-5-13-34-19/h1-3,5-8,11-14,28-29H,4,9-10,15-16H2,(H,27,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.68	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415304 (Intermediate 1-2-70 | US10428044, Example 411) Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCC1CC1 Show InChI InChI=1S/C25H27N3O2/c1-25(2)12-19-22(20(29)13-25)24(27-17-6-4-3-5-7-17)23(28-19)18-10-11-26-14-21(18)30-15-16-8-9-16/h3-7,10-11,14,16,27-28H,8-9,12-13,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.86	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415348 (Preparation of N-{4-[6-(fluoromethyl)-4-oxo-3-(phe...) Show SMILES CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CF)CC(=O)c2c1Nc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.88	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415329 (Intermediate 1-1-32 | US10428044, Example 442) Show SMILES FCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.97	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415235 (Preparation of 2-[(4-methoxybenzyl)oxy]-N-{4-[4-ox...) Show SMILES COc1ccc(COCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)cc1 Show InChI InChI=1S/C29H28N4O4/c1-36-22-12-10-19(11-13-22)17-37-18-26(35)33-25-16-20(14-15-30-25)28-29(31-21-6-3-2-4-7-21)27-23(32-28)8-5-9-24(27)34/h2-4,6-7,10-16,31-32H,5,8-9,17-18H2,1H3,(H,30,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.12	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415352 (Preparation of N-{4-[6,6-dimethyl-4-oxo-3-(phenyla...) Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccn[nH]2)c1 Show InChI InChI=1S/C25H24N6O2/c1-25(2)13-18-21(19(32)14-25)23(28-16-6-4-3-5-7-16)22(29-18)15-8-10-26-20(12-15)30-24(33)17-9-11-27-31-17/h3-12,28-29H,13-14H2,1-2H3,(H,27,31)(H,26,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.19	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415233 (Preparation of 2-(benzyloxy)-N-{4-[4-oxo-3-(phenyl...) Show SMILES O=C(COCc1ccccc1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1 Show InChI InChI=1S/C28H26N4O3/c33-23-13-7-12-22-26(23)28(30-21-10-5-2-6-11-21)27(31-22)20-14-15-29-24(16-20)32-25(34)18-35-17-19-8-3-1-4-9-19/h1-6,8-11,14-16,30-31H,7,12-13,17-18H2,(H,29,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.25	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415107 (Intermediate 1-2-37 | US10428044, Example 207) Show SMILES Fc1cc(ccn1)-c1[nH]c2CC3(CC3)CC(=O)c2c1Nc1ccccc1 Show InChI InChI=1S/C21H18FN3O/c22-17-10-13(6-9-23-17)19-20(24-14-4-2-1-3-5-14)18-15(25-19)11-21(7-8-21)12-16(18)26/h1-6,9-10,24-25H,7-8,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.32	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415341 (Preparation of 1-methyl-N-{4-[4-oxo-3-(phenylamino...) Show SMILES Cn1ccc(n1)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1 Show InChI InChI=1S/C24H22N6O2/c1-30-13-11-18(29-30)24(32)28-20-14-15(10-12-25-20)22-23(26-16-6-3-2-4-7-16)21-17(27-22)8-5-9-19(21)31/h2-4,6-7,10-14,26-27H,5,8-9H2,1H3,(H,25,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.33	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415226 (Preparation of 2-butoxy-N-{4-[4-oxo-3-(phenylamino...) Show SMILES CCCCOCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1 Show InChI InChI=1S/C25H28N4O3/c1-2-3-14-32-16-22(31)29-21-15-17(12-13-26-21)24-25(27-18-8-5-4-6-9-18)23-19(28-24)10-7-11-20(23)30/h4-6,8-9,12-13,15,27-28H,2-3,7,10-11,14,16H2,1H3,(H,26,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.33	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415149 (Preparation of rel-(R,S/S,R)-2-fluoro-N-{4-[4-oxo-...) Show SMILES F[C@H]1CC1C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.55	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM415166 (Preparation of N-{4-[4-oxo-3-(phenylamino)-4,5,6,7...) Show SMILES O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1cscn1 Show InChI InChI=1S/C23H19N5O2S/c29-18-8-4-7-16-20(18)22(26-15-5-2-1-3-6-15)21(27-16)14-9-10-24-19(11-14)28-23(30)17-12-31-13-25-17/h1-3,5-6,9-13,26-27H,4,7-8H2,(H,24,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.64	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...				US Patent US10428044 (2019) BindingDB Entry DOI: 10.7270/Q2QF8W7J
					More data for this Ligand-Target Pair

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