Compile Data Set for Download or QSAR

Found 317 hits with Last Name = 'iwai' and Initial = 'k'   

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
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50506348 (CHEMBL4436649) Show SMILES Cl.Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)C12CC(C1)CN2 |(44.2,-7.72,;43.11,-5.71,;31.25,-8.66,;30.77,-7.21,;29.3,-6.74,;29.3,-5.2,;30.76,-4.72,;31.68,-5.96,;33.22,-5.94,;34.12,-7.19,;35.58,-6.69,;36.92,-7.46,;38.25,-6.69,;38.25,-5.15,;36.92,-4.38,;36.92,-2.84,;35.58,-5.15,;34.11,-4.69,;39.57,-7.47,;40.98,-6.84,;42,-7.99,;40.57,-8.32,;41.24,-9.32,;39.73,-9,)| Show InChI InChI=1S/C15H15N5OS/c1-7-9(6-17-20-7)11-2-10-12(22-11)13(21)19-14(18-10)15-3-8(4-15)5-16-15/h2,6,8,16H,3-5H2,1H3,(H,17,20)(H,18,19,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...				J Med Chem 63: 1084-1104 (2020) Article DOI: 10.1021/acs.jmedchem.9b01427 BindingDB Entry DOI: 10.7270/Q29G5R3K
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50506358 (CHEMBL4462898) Show SMILES Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)C12CCC(CC1)N2 Show InChI InChI=1S/C16H17N5OS/c1-8-10(7-17-21-8)12-6-11-13(23-12)14(22)19-15(18-11)16-4-2-9(20-16)3-5-16/h6-7,9,20H,2-5H2,1H3,(H,17,21)(H,18,19,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...				J Med Chem 63: 1084-1104 (2020) Article DOI: 10.1021/acs.jmedchem.9b01427 BindingDB Entry DOI: 10.7270/Q29G5R3K
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50506350 (Simurosertib | Tak 931 | Tak-931) Show SMILES Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CC2CCN1CC2 |wD:16.18,(23.9,-5.5,;23.5,-6.99,;22.05,-7.46,;22.05,-9,;23.5,-9.47,;24.42,-8.23,;25.96,-8.23,;26.79,-6.94,;28.26,-7.33,;29.55,-6.49,;30.92,-7.17,;31.02,-8.7,;29.74,-9.56,;29.74,-11.1,;28.36,-8.87,;26.92,-9.42,;32.26,-6.4,;32.26,-4.86,;33.59,-4.09,;34.93,-4.86,;34.93,-6.4,;33.59,-7.17,;33.99,-5.69,;33.19,-5.58,)| Show InChI InChI=1S/C17H19N5OS/c1-9-11(8-18-21-9)14-7-12-15(24-14)17(23)20-16(19-12)13-6-10-2-4-22(13)5-3-10/h7-8,10,13H,2-6H2,1H3,(H,18,21)(H,19,20,23)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...				J Med Chem 63: 1084-1104 (2020) Article DOI: 10.1021/acs.jmedchem.9b01427 BindingDB Entry DOI: 10.7270/Q29G5R3K
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50506351 (CHEMBL4439133) Show SMILES Cl.Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCCN1 |r| Show InChI InChI=1S/C15H17N5OS.2ClH/c1-8-9(7-17-20-8)12-6-11-13(22-12)15(21)19-14(18-11)10-4-2-3-5-16-10;;/h6-7,10,16H,2-5H2,1H3,(H,17,20)(H,18,19,21);2*1H/t10-;;/m0../s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...				J Med Chem 63: 1084-1104 (2020) Article DOI: 10.1021/acs.jmedchem.9b01427 BindingDB Entry DOI: 10.7270/Q29G5R3K
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50506359 (CHEMBL4570191) Show SMILES Cl.FC(F)(F)c1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCCN1 |r| Show InChI InChI=1S/C15H14F3N5OS.ClH/c16-15(17,18)12-7(6-20-23-12)10-5-9-11(25-10)14(24)22-13(21-9)8-3-1-2-4-19-8;/h5-6,8,19H,1-4H2,(H,20,23)(H,21,22,24);1H/t8-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...				J Med Chem 63: 1084-1104 (2020) Article DOI: 10.1021/acs.jmedchem.9b01427 BindingDB Entry DOI: 10.7270/Q29G5R3K
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50506351 (CHEMBL4439133) Show SMILES Cl.Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCCN1 |r| Show InChI InChI=1S/C15H17N5OS.2ClH/c1-8-9(7-17-20-8)12-6-11-13(22-12)15(21)19-14(18-11)10-4-2-3-5-16-10;;/h6-7,10,16H,2-5H2,1H3,(H,17,20)(H,18,19,21);2*1H/t10-;;/m0../s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...				J Med Chem 63: 1084-1104 (2020) Article DOI: 10.1021/acs.jmedchem.9b01427 BindingDB Entry DOI: 10.7270/Q29G5R3K
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50506353 (CHEMBL4543158) Show SMILES Cl.Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CC=CCN1 |r,c:21| Show InChI InChI=1S/C15H15N5OS.2ClH/c1-8-9(7-17-20-8)12-6-11-13(22-12)15(21)19-14(18-11)10-4-2-3-5-16-10;;/h2-3,6-7,10,16H,4-5H2,1H3,(H,17,20)(H,18,19,21);2*1H/t10-;;/m0../s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...				J Med Chem 63: 1084-1104 (2020) Article DOI: 10.1021/acs.jmedchem.9b01427 BindingDB Entry DOI: 10.7270/Q29G5R3K
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50506350 (Simurosertib | Tak 931 | Tak-931) Show SMILES Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CC2CCN1CC2 |wD:16.18,(23.9,-5.5,;23.5,-6.99,;22.05,-7.46,;22.05,-9,;23.5,-9.47,;24.42,-8.23,;25.96,-8.23,;26.79,-6.94,;28.26,-7.33,;29.55,-6.49,;30.92,-7.17,;31.02,-8.7,;29.74,-9.56,;29.74,-11.1,;28.36,-8.87,;26.92,-9.42,;32.26,-6.4,;32.26,-4.86,;33.59,-4.09,;34.93,-4.86,;34.93,-6.4,;33.59,-7.17,;33.99,-5.69,;33.19,-5.58,)| Show InChI InChI=1S/C17H19N5OS/c1-9-11(8-18-21-9)14-7-12-15(24-14)17(23)20-16(19-12)13-6-10-2-4-22(13)5-3-10/h7-8,10,13H,2-6H2,1H3,(H,18,21)(H,19,20,23)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...				J Med Chem 63: 1084-1104 (2020) Article DOI: 10.1021/acs.jmedchem.9b01427 BindingDB Entry DOI: 10.7270/Q29G5R3K
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50506356 (CHEMBL4569914) Show SMILES Cl.Cl.C[C@H]1CCN[C@@H]1c1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C |r| Show InChI InChI=1S/C15H17N5OS.2ClH/c1-7-3-4-16-12(7)14-18-10-5-11(9-6-17-20-8(9)2)22-13(10)15(21)19-14;;/h5-7,12,16H,3-4H2,1-2H3,(H,17,20)(H,18,19,21);2*1H/t7-,12-;;/m0../s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...				J Med Chem 63: 1084-1104 (2020) Article DOI: 10.1021/acs.jmedchem.9b01427 BindingDB Entry DOI: 10.7270/Q29G5R3K
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50253706 (CHEMBL4083927) Show SMILES Cc1n[nH]cc1-c1cc2nc(CN3CCCC3)[nH]c(=O)c2s1 Show InChI InChI=1S/C15H17N5OS/c1-9-10(7-16-19-9)12-6-11-14(22-12)15(21)18-13(17-11)8-20-4-2-3-5-20/h6-7H,2-5,8H2,1H3,(H,16,19)(H,17,18,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus exp...				Bioorg Med Chem 25: 3658-3670 (2017) Article DOI: 10.1016/j.bmc.2017.04.044 BindingDB Entry DOI: 10.7270/Q26H4KTZ
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50253706 (CHEMBL4083927) Show SMILES Cc1n[nH]cc1-c1cc2nc(CN3CCCC3)[nH]c(=O)c2s1 Show InChI InChI=1S/C15H17N5OS/c1-9-10(7-16-19-9)12-6-11-14(22-12)15(21)18-13(17-11)8-20-4-2-3-5-20/h6-7H,2-5,8H2,1H3,(H,16,19)(H,17,18,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...				J Med Chem 63: 1084-1104 (2020) Article DOI: 10.1021/acs.jmedchem.9b01427 BindingDB Entry DOI: 10.7270/Q29G5R3K
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50506362 (CHEMBL4440266) Show SMILES Cl.Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C14H15N5OS.2ClH/c1-7-8(6-16-19-7)11-5-10-12(21-11)14(20)18-13(17-10)9-3-2-4-15-9;;/h5-6,9,15H,2-4H2,1H3,(H,16,19)(H,17,18,20);2*1H/t9-;;/m0../s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...				J Med Chem 63: 1084-1104 (2020) Article DOI: 10.1021/acs.jmedchem.9b01427 BindingDB Entry DOI: 10.7270/Q29G5R3K
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50506359 (CHEMBL4570191) Show SMILES Cl.FC(F)(F)c1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCCN1 |r| Show InChI InChI=1S/C15H14F3N5OS.ClH/c16-15(17,18)12-7(6-20-23-12)10-5-9-11(25-10)14(24)22-13(21-9)8-3-1-2-4-19-8;/h5-6,8,19H,1-4H2,(H,20,23)(H,21,22,24);1H/t8-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...				J Med Chem 63: 1084-1104 (2020) Article DOI: 10.1021/acs.jmedchem.9b01427 BindingDB Entry DOI: 10.7270/Q29G5R3K
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50506347 (CHEMBL4587191) Show SMILES Cl.Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@H]1CCCCN1 |r| Show InChI InChI=1S/C15H17N5OS.2ClH/c1-8-9(7-17-20-8)12-6-11-13(22-12)15(21)19-14(18-11)10-4-2-3-5-16-10;;/h6-7,10,16H,2-5H2,1H3,(H,17,20)(H,18,19,21);2*1H/t10-;;/m1../s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...				J Med Chem 63: 1084-1104 (2020) Article DOI: 10.1021/acs.jmedchem.9b01427 BindingDB Entry DOI: 10.7270/Q29G5R3K
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50450841 (CHEMBL4214023) Show SMILES CN1c2cc(sc2C(=O)NC1(C)CC(F)(F)F)-c1c[nH]nc1C Show InChI InChI=1S/C14H15F3N4OS/c1-7-8(5-18-20-7)10-4-9-11(23-10)12(22)19-13(2,21(9)3)6-14(15,16)17/h4-5H,6H2,1-3H3,(H,18,20)(H,19,22)	PDB UniProtKB/SwissProt 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
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged DBF4 (1 to 674 residues) expressed in baculovirus expression sys...				Bioorg Med Chem 25: 2133-2147 (2017) Article DOI: 10.1016/j.bmc.2017.02.021 BindingDB Entry DOI: 10.7270/Q29P3477
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50506361 (CHEMBL4572218) Show SMILES Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@H]1CC2CCN1CC2 |r,wU:16.18,(31.13,-24.46,;30.64,-23,;29.17,-22.53,;29.17,-20.98,;30.63,-20.5,;31.55,-21.74,;33.09,-21.72,;34,-22.97,;35.46,-22.48,;36.8,-23.25,;38.13,-22.48,;38.13,-20.94,;36.8,-20.16,;36.8,-18.62,;35.45,-20.94,;33.98,-20.47,;39.45,-23.25,;40.78,-22.49,;42.11,-23.26,;42.11,-24.8,;40.77,-25.56,;39.45,-24.79,;40.95,-24.54,;40.79,-23.43,)| Show InChI InChI=1S/C17H19N5OS/c1-9-11(8-18-21-9)14-7-12-15(24-14)17(23)20-16(19-12)13-6-10-2-4-22(13)5-3-10/h7-8,10,13H,2-6H2,1H3,(H,18,21)(H,19,20,23)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...				J Med Chem 63: 1084-1104 (2020) Article DOI: 10.1021/acs.jmedchem.9b01427 BindingDB Entry DOI: 10.7270/Q29G5R3K
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50253676 (CHEMBL4087760) Show SMILES Cc1n[nH]cc1-c1cc2nc(CN3CC[C@H](F)C3)[nH]c(=O)c2s1 |r| Show InChI InChI=1S/C15H16FN5OS/c1-8-10(5-17-20-8)12-4-11-14(23-12)15(22)19-13(18-11)7-21-3-2-9(16)6-21/h4-5,9H,2-3,6-7H2,1H3,(H,17,20)(H,18,19,22)/t9-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus exp...				Bioorg Med Chem 25: 3658-3670 (2017) Article DOI: 10.1016/j.bmc.2017.04.044 BindingDB Entry DOI: 10.7270/Q26H4KTZ
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50506354 (CHEMBL4529213) Show SMILES Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCCCN1 |r| Show InChI InChI=1S/C16H19N5OS/c1-9-10(8-18-21-9)13-7-12-14(23-13)16(22)20-15(19-12)11-5-3-2-4-6-17-11/h7-8,11,17H,2-6H2,1H3,(H,18,21)(H,19,20,22)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...				J Med Chem 63: 1084-1104 (2020) Article DOI: 10.1021/acs.jmedchem.9b01427 BindingDB Entry DOI: 10.7270/Q29G5R3K
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50450842 (CHEMBL4213805) Show SMILES Cc1n[nH]cc1-c1cc2N[C@]3(CC[C@](O)(CC3)c3ccc(F)cc3)NC(=O)c2s1 |r,wU:10.11,wD:13.18,(40.37,-51.96,;39.89,-50.5,;38.42,-50.02,;38.42,-48.48,;39.89,-48.01,;40.79,-49.25,;42.33,-49.24,;43.25,-50.5,;44.72,-50.02,;46.04,-50.78,;47.37,-50.02,;47.36,-51.56,;48.68,-52.33,;50.02,-51.57,;51.56,-51.57,;50.03,-50.03,;48.7,-49.25,;50.79,-52.9,;50.02,-54.23,;50.79,-55.57,;52.33,-55.57,;53.1,-56.89,;53.1,-54.22,;52.33,-52.9,;47.37,-48.48,;46.04,-47.7,;46.05,-46.16,;44.72,-48.47,;43.25,-48,)| Show InChI InChI=1S/C21H21FN4O2S/c1-12-15(11-23-26-12)17-10-16-18(29-17)19(27)25-21(24-16)8-6-20(28,7-9-21)13-2-4-14(22)5-3-13/h2-5,10-11,24,28H,6-9H2,1H3,(H,23,26)(H,25,27)/t20-,21+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged DBF4 (1 to 674 residues) expressed in baculovirus expression sys...				Bioorg Med Chem 25: 2133-2147 (2017) Article DOI: 10.1016/j.bmc.2017.02.021 BindingDB Entry DOI: 10.7270/Q29P3477
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50253759 (CHEMBL4078941) Show SMILES Cl.Cl.C[C@H]1CCCN1Cc1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C |r| Show InChI InChI=1S/C16H19N5OS.2ClH/c1-9-4-3-5-21(9)8-14-18-12-6-13(11-7-17-20-10(11)2)23-15(12)16(22)19-14;;/h6-7,9H,3-5,8H2,1-2H3,(H,17,20)(H,18,19,22);2*1H/t9-;;/m0../s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	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
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus exp...				Bioorg Med Chem 25: 3658-3670 (2017) Article DOI: 10.1016/j.bmc.2017.04.044 BindingDB Entry DOI: 10.7270/Q26H4KTZ
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425719 (CHEMBL2316217) Show SMILES CCO[C@@H]1C[C@@H]2CN([C@@H](CN2C1)C(=O)N[C@@H]1CCOc2ccccc12)C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C31H45F2N5O5/c1-4-42-22-15-21-16-38(30(41)27(36-28(39)19(2)34-3)20-9-12-31(32,33)13-10-20)25(18-37(21)17-22)29(40)35-24-11-14-43-26-8-6-5-7-23(24)26/h5-8,19-22,24-25,27,34H,4,9-18H2,1-3H3,(H,35,40)(H,36,39)/t19-,21+,22+,24+,25-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50506360 (CHEMBL4462574) Show SMILES Cl.Cl.C[C@@H]1CN[C@@H](C1)c1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C |r| Show InChI InChI=1S/C15H17N5OS.2ClH/c1-7-3-11(16-5-7)14-18-10-4-12(9-6-17-20-8(9)2)22-13(10)15(21)19-14;;/h4,6-7,11,16H,3,5H2,1-2H3,(H,17,20)(H,18,19,21);2*1H/t7-,11-;;/m0../s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...				J Med Chem 63: 1084-1104 (2020) Article DOI: 10.1021/acs.jmedchem.9b01427 BindingDB Entry DOI: 10.7270/Q29G5R3K
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50253708 (CHEMBL4070822) Show SMILES Cl.Cl.CNCc1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C Show InChI InChI=1S/C12H13N5OS/c1-6-7(4-14-17-6)9-3-8-11(19-9)12(18)16-10(15-8)5-13-2/h3-4,13H,5H2,1-2H3,(H,14,17)(H,15,16,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus exp...				Bioorg Med Chem 25: 3658-3670 (2017) Article DOI: 10.1016/j.bmc.2017.04.044 BindingDB Entry DOI: 10.7270/Q26H4KTZ
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50533247 (CHEMBL4470356) Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(c4F)C(F)(F)F)c(-c3ccc(F)c(C)c3)n12 |r| Show InChI InChI=1S/C29H27F5N4O4S/c1-16-14-17(8-11-20(16)30)26-25(35-22-6-5-7-23(42-4)38(22)26)28(39)37(13-12-36(2)3)21-15-43(40,41)27-18(21)9-10-19(24(27)31)29(32,33)34/h5-11,14,21H,12-13,15H2,1-4H3/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...				Bioorg Med Chem Lett 26: 4296-300 (2016) Article DOI: 10.1016/j.bmcl.2016.07.038 BindingDB Entry DOI: 10.7270/Q28P642T
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50253753 (CHEMBL4062209) Show SMILES Cl.Cl.CN(C)Cc1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C Show InChI InChI=1S/C13H15N5OS/c1-7-8(5-14-17-7)10-4-9-12(20-10)13(19)16-11(15-9)6-18(2)3/h4-5H,6H2,1-3H3,(H,14,17)(H,15,16,19)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus exp...				Bioorg Med Chem 25: 3658-3670 (2017) Article DOI: 10.1016/j.bmc.2017.04.044 BindingDB Entry DOI: 10.7270/Q26H4KTZ
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50450844 (CHEMBL4216005) Show SMILES Cc1n[nH]cc1-c1cc2NC3(CCCCC3)NC(=O)c2s1 Show InChI InChI=1S/C15H18N4OS/c1-9-10(8-16-19-9)12-7-11-13(21-12)14(20)18-15(17-11)5-3-2-4-6-15/h7-8,17H,2-6H2,1H3,(H,16,19)(H,18,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged DBF4 (1 to 674 residues) expressed in baculovirus expression sys...				Bioorg Med Chem 25: 2133-2147 (2017) Article DOI: 10.1016/j.bmc.2017.02.021 BindingDB Entry DOI: 10.7270/Q29P3477
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50253702 (CHEMBL4080673) Show SMILES Cc1n[nH]cc1-c1cc2nc(CC3CCCC3)[nH]c(=O)c2s1 Show InChI InChI=1S/C16H18N4OS/c1-9-11(8-17-20-9)13-7-12-15(22-13)16(21)19-14(18-12)6-10-4-2-3-5-10/h7-8,10H,2-6H2,1H3,(H,17,20)(H,18,19,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus exp...				Bioorg Med Chem 25: 3658-3670 (2017) Article DOI: 10.1016/j.bmc.2017.04.044 BindingDB Entry DOI: 10.7270/Q26H4KTZ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50450838 (CHEMBL4204752) Show SMILES CC1(C)Nc2cc(sc2C(=O)N1Cc1ccccc1)-c1ccncc1 Show InChI InChI=1S/C20H19N3OS/c1-20(2)22-16-12-17(15-8-10-21-11-9-15)25-18(16)19(24)23(20)13-14-6-4-3-5-7-14/h3-12,22H,13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ROCK1 (1 to 477 residues) expressed in baculovirus expression system using biotin-STK substrate...				Bioorg Med Chem 25: 2133-2147 (2017) Article DOI: 10.1016/j.bmc.2017.02.021 BindingDB Entry DOI: 10.7270/Q29P3477
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50533247 (CHEMBL4470356) Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(c4F)C(F)(F)F)c(-c3ccc(F)c(C)c3)n12 |r| Show InChI InChI=1S/C29H27F5N4O4S/c1-16-14-17(8-11-20(16)30)26-25(35-22-6-5-7-23(42-4)38(22)26)28(39)37(13-12-36(2)3)21-15-43(40,41)27-18(21)9-10-19(24(27)31)29(32,33)34/h5-11,14,21H,12-13,15H2,1-4H3/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...				Bioorg Med Chem Lett 26: 4296-300 (2016) Article DOI: 10.1016/j.bmcl.2016.07.038 BindingDB Entry DOI: 10.7270/Q28P642T
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50253677 (CHEMBL4095460) Show SMILES C[C@H]1CCN(Cc2nc3cc(sc3c(=O)[nH]2)-c2c[nH]nc2C)C1 |r| Show InChI InChI=1S/C16H19N5OS/c1-9-3-4-21(7-9)8-14-18-12-5-13(11-6-17-20-10(11)2)23-15(12)16(22)19-14/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,20)(H,18,19,22)/t9-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus exp...				Bioorg Med Chem 25: 3658-3670 (2017) Article DOI: 10.1016/j.bmc.2017.04.044 BindingDB Entry DOI: 10.7270/Q26H4KTZ
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50533251 (CHEMBL4579540) Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12 |r| Show InChI InChI=1S/C28H27Cl2FN4O4S/c1-16-14-17(8-11-20(16)31)26-25(32-22-6-5-7-23(39-4)35(22)26)28(36)34(13-12-33(2)3)21-15-40(37,38)27-18(21)9-10-19(29)24(27)30/h5-11,14,21H,12-13,15H2,1-4H3/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...				Bioorg Med Chem Lett 26: 4296-300 (2016) Article DOI: 10.1016/j.bmcl.2016.07.038 BindingDB Entry DOI: 10.7270/Q28P642T
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50533251 (CHEMBL4579540) Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12 |r| Show InChI InChI=1S/C28H27Cl2FN4O4S/c1-16-14-17(8-11-20(16)31)26-25(32-22-6-5-7-23(39-4)35(22)26)28(36)34(13-12-33(2)3)21-15-40(37,38)27-18(21)9-10-19(29)24(27)30/h5-11,14,21H,12-13,15H2,1-4H3/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...				Bioorg Med Chem Lett 26: 4296-300 (2016) Article DOI: 10.1016/j.bmcl.2016.07.038 BindingDB Entry DOI: 10.7270/Q28P642T
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50253706 (CHEMBL4083927) Show SMILES Cc1n[nH]cc1-c1cc2nc(CN3CCCC3)[nH]c(=O)c2s1 Show InChI InChI=1S/C15H17N5OS/c1-9-10(7-16-19-9)12-6-11-14(22-12)15(21)18-13(17-11)8-20-4-2-3-5-20/h6-7H,2-5,8H2,1H3,(H,16,19)(H,17,18,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus exp...				Bioorg Med Chem 25: 3658-3670 (2017) Article DOI: 10.1016/j.bmc.2017.04.044 BindingDB Entry DOI: 10.7270/Q26H4KTZ
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425721 (CHEMBL2311586) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCC(F)(F)CC1)C(=O)N1C[C@H]2CC(F)(F)CN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C29H39F4N5O4/c1-17(34-2)25(39)36-24(18-7-10-28(30,31)11-8-18)27(41)38-14-19-13-29(32,33)16-37(19)15-22(38)26(40)35-21-9-12-42-23-6-4-3-5-20(21)23/h3-6,17-19,21-22,24,34H,7-16H2,1-2H3,(H,35,40)(H,36,39)/t17-,19+,21+,22-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50533246 (CHEMBL4549646) Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(c4Cl)C(F)(F)F)c(-c3ccc(F)c(C)c3)n12 |r| Show InChI InChI=1S/C29H27ClF4N4O4S/c1-16-14-17(8-11-20(16)31)26-25(35-22-6-5-7-23(42-4)38(22)26)28(39)37(13-12-36(2)3)21-15-43(40,41)27-18(21)9-10-19(24(27)30)29(32,33)34/h5-11,14,21H,12-13,15H2,1-4H3/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...				Bioorg Med Chem Lett 26: 4296-300 (2016) Article DOI: 10.1016/j.bmcl.2016.07.038 BindingDB Entry DOI: 10.7270/Q28P642T
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50253706 (CHEMBL4083927) Show SMILES Cc1n[nH]cc1-c1cc2nc(CN3CCCC3)[nH]c(=O)c2s1 Show InChI InChI=1S/C15H17N5OS/c1-9-10(7-16-19-9)12-6-11-14(22-12)15(21)18-13(17-11)8-20-4-2-3-5-20/h6-7H,2-5,8H2,1H3,(H,16,19)(H,17,18,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...				J Med Chem 63: 1084-1104 (2020) Article DOI: 10.1021/acs.jmedchem.9b01427 BindingDB Entry DOI: 10.7270/Q29G5R3K
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50533246 (CHEMBL4549646) Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(c4Cl)C(F)(F)F)c(-c3ccc(F)c(C)c3)n12 |r| Show InChI InChI=1S/C29H27ClF4N4O4S/c1-16-14-17(8-11-20(16)31)26-25(35-22-6-5-7-23(42-4)38(22)26)28(39)37(13-12-36(2)3)21-15-43(40,41)27-18(21)9-10-19(24(27)30)29(32,33)34/h5-11,14,21H,12-13,15H2,1-4H3/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...				Bioorg Med Chem Lett 26: 4296-300 (2016) Article DOI: 10.1016/j.bmcl.2016.07.038 BindingDB Entry DOI: 10.7270/Q28P642T
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50506349 (CHEMBL4589689) Show SMILES Cl.Cl.CN1CCC[C@H]1c1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C |r| Show InChI InChI=1S/C15H17N5OS.2ClH/c1-8-9(7-16-19-8)12-6-10-13(22-12)15(21)18-14(17-10)11-4-3-5-20(11)2;;/h6-7,11H,3-5H2,1-2H3,(H,16,19)(H,17,18,21);2*1H/t11-;;/m0../s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...				J Med Chem 63: 1084-1104 (2020) Article DOI: 10.1021/acs.jmedchem.9b01427 BindingDB Entry DOI: 10.7270/Q29G5R3K
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50506357 (CHEMBL4561384) Show SMILES Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCC(C)(C)N1 |r| Show InChI InChI=1S/C16H19N5OS/c1-8-9(7-17-21-8)12-6-11-13(23-12)15(22)19-14(18-11)10-4-5-16(2,3)20-10/h6-7,10,20H,4-5H2,1-3H3,(H,17,21)(H,18,19,22)/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...				J Med Chem 63: 1084-1104 (2020) Article DOI: 10.1021/acs.jmedchem.9b01427 BindingDB Entry DOI: 10.7270/Q29G5R3K
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50450845 (CHEMBL4209416) Show SMILES Cc1n[nH]cc1-c1cc2N[C@]3(CC[C@](O)(CC3)C3CCCCC3)NC(=O)c2s1 |r,wU:10.11,wD:13.18,(72.5,-50.69,;72.02,-49.23,;70.56,-48.75,;70.56,-47.21,;72.02,-46.74,;72.93,-47.98,;74.47,-47.98,;75.38,-49.23,;76.85,-48.75,;78.18,-49.51,;79.5,-48.75,;79.5,-50.29,;80.82,-51.06,;82.16,-50.3,;83.7,-50.3,;82.16,-48.76,;80.83,-47.98,;82.93,-51.63,;82.15,-52.96,;82.92,-54.29,;84.46,-54.3,;85.23,-52.97,;84.47,-51.62,;79.51,-47.21,;78.18,-46.43,;78.18,-44.89,;76.85,-47.2,;75.38,-46.72,)| Show InChI InChI=1S/C21H28N4O2S/c1-13-15(12-22-25-13)17-11-16-18(28-17)19(26)24-21(23-16)9-7-20(27,8-10-21)14-5-3-2-4-6-14/h11-12,14,23,27H,2-10H2,1H3,(H,22,25)(H,24,26)/t20-,21+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged DBF4 (1 to 674 residues) expressed in baculovirus expression sys...				Bioorg Med Chem 25: 2133-2147 (2017) Article DOI: 10.1016/j.bmc.2017.02.021 BindingDB Entry DOI: 10.7270/Q29P3477
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50506352 (CHEMBL4457256) Show SMILES Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCN1 |r| Show InChI InChI=1S/C13H13N5OS/c1-6-7(5-15-18-6)10-4-9-11(20-10)13(19)17-12(16-9)8-2-3-14-8/h4-5,8,14H,2-3H2,1H3,(H,15,18)(H,16,17,19)/t8-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...				J Med Chem 63: 1084-1104 (2020) Article DOI: 10.1021/acs.jmedchem.9b01427 BindingDB Entry DOI: 10.7270/Q29G5R3K
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50506348 (CHEMBL4436649) Show SMILES Cl.Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)C12CC(C1)CN2 |(44.2,-7.72,;43.11,-5.71,;31.25,-8.66,;30.77,-7.21,;29.3,-6.74,;29.3,-5.2,;30.76,-4.72,;31.68,-5.96,;33.22,-5.94,;34.12,-7.19,;35.58,-6.69,;36.92,-7.46,;38.25,-6.69,;38.25,-5.15,;36.92,-4.38,;36.92,-2.84,;35.58,-5.15,;34.11,-4.69,;39.57,-7.47,;40.98,-6.84,;42,-7.99,;40.57,-8.32,;41.24,-9.32,;39.73,-9,)| Show InChI InChI=1S/C15H15N5OS/c1-7-9(6-17-20-7)11-2-10-12(22-11)13(21)19-14(18-10)15-3-8(4-15)5-16-15/h2,6,8,16H,3-5H2,1H3,(H,17,20)(H,18,19,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...				J Med Chem 63: 1084-1104 (2020) Article DOI: 10.1021/acs.jmedchem.9b01427 BindingDB Entry DOI: 10.7270/Q29G5R3K
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425728 (CHEMBL2365533) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C29H43N5O4/c1-19(30-2)27(35)32-26(20-9-4-3-5-10-20)29(37)34-17-21-11-8-15-33(21)18-24(34)28(36)31-23-14-16-38-25-13-7-6-12-22(23)25/h6-7,12-13,19-21,23-24,26,30H,3-5,8-11,14-18H2,1-2H3,(H,31,36)(H,32,35)/t19-,21+,23+,24-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50533249 (CHEMBL4468555) Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(c4C#N)C(F)(F)F)c(-c3ccc(F)c(C)c3)n12 |r| Show InChI InChI=1S/C30H27F4N5O4S/c1-17-14-18(8-11-22(17)31)27-26(36-24-6-5-7-25(43-4)39(24)27)29(40)38(13-12-37(2)3)23-16-44(41,42)28-19(23)9-10-21(20(28)15-35)30(32,33)34/h5-11,14,23H,12-13,16H2,1-4H3/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...				Bioorg Med Chem Lett 26: 4296-300 (2016) Article DOI: 10.1016/j.bmcl.2016.07.038 BindingDB Entry DOI: 10.7270/Q28P642T
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50253753 (CHEMBL4062209) Show SMILES Cl.Cl.CN(C)Cc1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C Show InChI InChI=1S/C13H15N5OS/c1-7-8(5-14-17-7)10-4-9-12(20-10)13(19)16-11(15-9)6-18(2)3/h4-5H,6H2,1-3H3,(H,14,17)(H,15,16,19)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	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
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus exp...				Bioorg Med Chem 25: 3658-3670 (2017) Article DOI: 10.1016/j.bmc.2017.04.044 BindingDB Entry DOI: 10.7270/Q26H4KTZ
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50533249 (CHEMBL4468555) Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(c4C#N)C(F)(F)F)c(-c3ccc(F)c(C)c3)n12 |r| Show InChI InChI=1S/C30H27F4N5O4S/c1-17-14-18(8-11-22(17)31)27-26(36-24-6-5-7-25(43-4)39(24)27)29(40)38(13-12-37(2)3)23-16-44(41,42)28-19(23)9-10-21(20(28)15-35)30(32,33)34/h5-11,14,23H,12-13,16H2,1-4H3/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...				Bioorg Med Chem Lett 26: 4296-300 (2016) Article DOI: 10.1016/j.bmcl.2016.07.038 BindingDB Entry DOI: 10.7270/Q28P642T
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50253703 (CHEMBL4078031) Show SMILES Cc1n[nH]cc1-c1cc2nc(CN3CCCCC3)[nH]c(=O)c2s1 Show InChI InChI=1S/C16H19N5OS/c1-10-11(8-17-20-10)13-7-12-15(23-13)16(22)19-14(18-12)9-21-5-3-2-4-6-21/h7-8H,2-6,9H2,1H3,(H,17,20)(H,18,19,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus exp...				Bioorg Med Chem 25: 3658-3670 (2017) Article DOI: 10.1016/j.bmc.2017.04.044 BindingDB Entry DOI: 10.7270/Q26H4KTZ
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425722 (CHEMBL2316215) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCC(F)(F)CC1)C(=O)N1C[C@@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C29H41F2N5O4/c1-18(32-2)26(37)34-25(19-9-12-29(30,31)13-10-19)28(39)36-16-20-6-5-14-35(20)17-23(36)27(38)33-22-11-15-40-24-8-4-3-7-21(22)24/h3-4,7-8,18-20,22-23,25,32H,5-6,9-17H2,1-2H3,(H,33,38)(H,34,37)/t18-,20-,22+,23-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50253674 (CHEMBL4084945) Show SMILES Cl.Cl.CCc1n[nH]cc1-c1cc2nc(CN3CCCC3)[nH]c(=O)c2s1 Show InChI InChI=1S/C16H19N5OS/c1-2-11-10(8-17-20-11)13-7-12-15(23-13)16(22)19-14(18-12)9-21-5-3-4-6-21/h7-8H,2-6,9H2,1H3,(H,17,20)(H,18,19,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus exp...				Bioorg Med Chem 25: 3658-3670 (2017) Article DOI: 10.1016/j.bmc.2017.04.044 BindingDB Entry DOI: 10.7270/Q26H4KTZ
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425725 (CHEMBL2316224) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12)c1ccccc1 |r| Show InChI InChI=1S/C29H37N5O4/c1-19(30-2)27(35)32-26(20-9-4-3-5-10-20)29(37)34-17-21-11-8-15-33(21)18-24(34)28(36)31-23-14-16-38-25-13-7-6-12-22(23)25/h3-7,9-10,12-13,19,21,23-24,26,30H,8,11,14-18H2,1-2H3,(H,31,36)(H,32,35)/t19-,21+,23+,24-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair

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