Compile Data Set for Download or QSAR

Found 77 hits Enz. Inhib. hit(s) with all data for entry = 50001944   

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))	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))	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))	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
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
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))	BDBM50450846 (CHEMBL4202743) Show SMILES CC1(CC(F)(F)F)Nc2cc(sc2C(=O)N1)-c1ccncc1 Show InChI InChI=1S/C14H12F3N3OS/c1-13(7-14(15,16)17)19-9-6-10(8-2-4-18-5-3-8)22-11(9)12(21)20-13/h2-6,19H,7H2,1H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	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))	BDBM50450857 (CHEMBL4209096) Show SMILES CN1c2cc(sc2C(=O)NC1(C)C)-c1c[nH]nc1C Show InChI InChI=1S/C13H16N4OS/c1-7-8(6-14-16-7)10-5-9-11(19-10)12(18)15-13(2,3)17(9)4/h5-6H,1-4H3,(H,14,16)(H,15,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	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))	BDBM50450861 (CHEMBL4207094) Show SMILES O=C1NC2(CCCCC2)Nc2cc(sc12)-c1ccncc1 Show InChI InChI=1S/C16H17N3OS/c20-15-14-12(18-16(19-15)6-2-1-3-7-16)10-13(21-14)11-4-8-17-9-5-11/h4-5,8-10,18H,1-3,6-7H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	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))	BDBM50450860 (CHEMBL4216947) Show SMILES O=C1NC2(CCCCCC2)Nc2cc(sc12)-c1ccncc1 Show InChI InChI=1S/C17H19N3OS/c21-16-15-13(11-14(22-15)12-5-9-18-10-6-12)19-17(20-16)7-3-1-2-4-8-17/h5-6,9-11,19H,1-4,7-8H2,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	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))	BDBM50450848 (CHEMBL4214928) Show SMILES CCCC1(C)Nc2cc(sc2C(=O)N1)-c1ccncc1 Show InChI InChI=1S/C15H17N3OS/c1-3-6-15(2)17-11-9-12(10-4-7-16-8-5-10)20-13(11)14(19)18-15/h4-5,7-9,17H,3,6H2,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	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))	BDBM50450849 (CHEMBL4203275) Show SMILES CCC1(C)Nc2cc(sc2C(=O)N1)-c1ccncc1 Show InChI InChI=1S/C14H15N3OS/c1-3-14(2)16-10-8-11(9-4-6-15-7-5-9)19-12(10)13(18)17-14/h4-8,16H,3H2,1-2H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	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))	BDBM50450839 (CHEMBL4211971) Show SMILES O=C1NC2(CCCC2)Nc2cc(sc12)-c1ccncc1 Show InChI InChI=1S/C15H15N3OS/c19-14-13-11(17-15(18-14)5-1-2-6-15)9-12(20-13)10-3-7-16-8-4-10/h3-4,7-9,17H,1-2,5-6H2,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20	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))	BDBM50450847 (CHEMBL4207608) Show SMILES CC(C)C1(C)Nc2cc(sc2C(=O)N1)-c1ccncc1 Show InChI InChI=1S/C15H17N3OS/c1-9(2)15(3)17-11-8-12(10-4-6-16-7-5-10)20-13(11)14(19)18-15/h4-9,17H,1-3H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20	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))	BDBM50450858 (CHEMBL4209617) Show SMILES CN1c2cc(sc2C(=O)NC1(C)C)-c1cn[nH]c1 Show InChI InChI=1S/C12H14N4OS/c1-12(2)15-11(17)10-8(16(12)3)4-9(18-10)7-5-13-14-6-7/h4-6H,1-3H3,(H,13,14)(H,15,17)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40	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))	BDBM50450852 (CHEMBL4205039) Show SMILES CN1c2c(Br)c(sc2C(=O)NC1(C)C)-c1cn[nH]c1 Show InChI InChI=1S/C12H13BrN4OS/c1-12(2)16-11(18)10-8(17(12)3)7(13)9(19-10)6-4-14-15-5-6/h4-5H,1-3H3,(H,14,15)(H,16,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.5	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))	BDBM50450850 (CHEMBL4210511) Show SMILES CN1c2cc(sc2C(=O)NC1(C)C)-c1ccncc1 Show InChI InChI=1S/C14H15N3OS/c1-14(2)16-13(18)12-10(17(14)3)8-11(19-12)9-4-6-15-7-5-9/h4-8H,1-3H3,(H,16,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.90	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))	BDBM50450855 (CHEMBL4218429) Show SMILES CCc1n[nH]cc1-c1cc2N(C)C(C)(C)NC(=O)c2s1 Show InChI InChI=1S/C14H18N4OS/c1-5-9-8(7-15-17-9)11-6-10-12(20-11)13(19)16-14(2,3)18(10)4/h6-7H,5H2,1-4H3,(H,15,17)(H,16,19)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	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))	BDBM50450853 (CHEMBL4204540) Show SMILES CN1c2c(C)c(sc2C(=O)NC1(C)C)-c1cn[nH]c1 Show InChI InChI=1S/C13H16N4OS/c1-7-9-11(12(18)16-13(2,3)17(9)4)19-10(7)8-5-14-15-6-8/h5-6H,1-4H3,(H,14,15)(H,16,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50450852 (CHEMBL4205039) Show SMILES CN1c2c(Br)c(sc2C(=O)NC1(C)C)-c1cn[nH]c1 Show InChI InChI=1S/C12H13BrN4OS/c1-12(2)16-11(18)10-8(17(12)3)7(13)9(19-10)6-4-14-15-5-6/h4-5H,1-3H3,(H,14,15)(H,16,18)	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	22	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
Rho-associated protein kinase 1 (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 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	22	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
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50450853 (CHEMBL4204540) Show SMILES CN1c2c(C)c(sc2C(=O)NC1(C)C)-c1cn[nH]c1 Show InChI InChI=1S/C13H16N4OS/c1-7-9-11(12(18)16-13(2,3)17(9)4)19-10(7)8-5-14-15-6-8/h5-6H,1-4H3,(H,14,15)(H,16,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	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 Cdk2 (1 to 298 residues)/human N-terminal GST-tagged cyclinE (1 to 410 residues) expressed in baculovirus expression ...				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))	BDBM50450851 (CHEMBL4215449) Show SMILES CC1(C)Nc2cc(sc2C(=O)N1)-c1ccncc1 Show InChI InChI=1S/C13H13N3OS/c1-13(2)15-9-7-10(8-3-5-14-6-4-8)18-11(9)12(17)16-13/h3-7,15H,1-2H3,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	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
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50450852 (CHEMBL4205039) Show SMILES CN1c2c(Br)c(sc2C(=O)NC1(C)C)-c1cn[nH]c1 Show InChI InChI=1S/C12H13BrN4OS/c1-12(2)16-11(18)10-8(17(12)3)7(13)9(19-10)6-4-14-15-5-6/h4-5H,1-3H3,(H,14,15)(H,16,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	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 Cdk2 (1 to 298 residues)/human N-terminal GST-tagged cyclinE (1 to 410 residues) expressed in baculovirus expression ...				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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50450846 (CHEMBL4202743) Show SMILES CC1(CC(F)(F)F)Nc2cc(sc2C(=O)N1)-c1ccncc1 Show InChI InChI=1S/C14H12F3N3OS/c1-13(7-14(15,16)17)19-9-6-10(8-2-4-18-5-3-8)22-11(9)12(21)20-13/h2-6,19H,7H2,1H3,(H,20,21)	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	31	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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50450848 (CHEMBL4214928) Show SMILES CCCC1(C)Nc2cc(sc2C(=O)N1)-c1ccncc1 Show InChI InChI=1S/C15H17N3OS/c1-3-6-15(2)17-11-9-12(10-4-7-16-8-5-10)20-13(11)14(19)18-15/h4-5,7-9,17H,3,6H2,1-2H3,(H,18,19)	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	33	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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50450847 (CHEMBL4207608) Show SMILES CC(C)C1(C)Nc2cc(sc2C(=O)N1)-c1ccncc1 Show InChI InChI=1S/C15H17N3OS/c1-9(2)15(3)17-11-8-12(10-4-6-16-7-5-10)20-13(11)14(19)18-15/h4-9,17H,1-3H3,(H,18,19)	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	35	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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50450849 (CHEMBL4203275) Show SMILES CCC1(C)Nc2cc(sc2C(=O)N1)-c1ccncc1 Show InChI InChI=1S/C14H15N3OS/c1-3-14(2)16-10-8-11(9-4-6-15-7-5-9)19-12(10)13(18)17-14/h4-8,16H,3H2,1-2H3,(H,17,18)	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	36	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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50450860 (CHEMBL4216947) Show SMILES O=C1NC2(CCCCCC2)Nc2cc(sc12)-c1ccncc1 Show InChI InChI=1S/C17H19N3OS/c21-16-15-13(11-14(22-15)12-5-9-18-10-6-12)19-17(20-16)7-3-1-2-4-8-17/h5-6,9-11,19H,1-4,7-8H2,(H,20,21)	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	37	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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50450853 (CHEMBL4204540) Show SMILES CN1c2c(C)c(sc2C(=O)NC1(C)C)-c1cn[nH]c1 Show InChI InChI=1S/C13H16N4OS/c1-7-9-11(12(18)16-13(2,3)17(9)4)19-10(7)8-5-14-15-6-8/h5-6H,1-4H3,(H,14,15)(H,16,18)	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	44	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
Rho-associated protein kinase 1 (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 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	48	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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50450861 (CHEMBL4207094) Show SMILES O=C1NC2(CCCCC2)Nc2cc(sc12)-c1ccncc1 Show InChI InChI=1S/C16H17N3OS/c20-15-14-12(18-16(19-15)6-2-1-3-7-16)10-13(21-14)11-4-8-17-9-5-11/h4-5,8-10,18H,1-3,6-7H2,(H,19,20)	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	53	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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50450857 (CHEMBL4209096) Show SMILES CN1c2cc(sc2C(=O)NC1(C)C)-c1c[nH]nc1C Show InChI InChI=1S/C13H16N4OS/c1-7-8(6-14-16-7)10-5-9-11(19-10)12(18)15-13(2,3)17(9)4/h5-6H,1-4H3,(H,14,16)(H,15,18)	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	54	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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50450851 (CHEMBL4215449) Show SMILES CC1(C)Nc2cc(sc2C(=O)N1)-c1ccncc1 Show InChI InChI=1S/C13H13N3OS/c1-13(2)15-9-7-10(8-3-5-14-6-4-8)18-11(9)12(17)16-13/h3-7,15H,1-2H3,(H,16,17)	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	90	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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50450862 (CHEMBL4206154) Show SMILES CC1(C)Nc2sc(cc2C(=O)N1)-c1ccncc1 Show InChI InChI=1S/C13H13N3OS/c1-13(2)15-11(17)9-7-10(18-12(9)16-13)8-3-5-14-6-4-8/h3-7,16H,1-2H3,(H,15,17)	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	100	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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50450839 (CHEMBL4211971) Show SMILES O=C1NC2(CCCC2)Nc2cc(sc12)-c1ccncc1 Show InChI InChI=1S/C15H15N3OS/c19-14-13-11(17-15(18-14)5-1-2-6-15)9-12(20-13)10-3-7-16-8-4-10/h3-4,7-9,17H,1-2,5-6H2,(H,18,19)	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	100	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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50450858 (CHEMBL4209617) Show SMILES CN1c2cc(sc2C(=O)NC1(C)C)-c1cn[nH]c1 Show InChI InChI=1S/C12H14N4OS/c1-12(2)15-11(17)10-8(16(12)3)4-9(18-10)7-5-13-14-6-7/h4-6H,1-3H3,(H,13,14)(H,15,17)	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	130	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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50450840 (CHEMBL4204333) Show SMILES Cc1n[nH]cc1-c1cc2N[C@]3(CC[C@@](O)(CC3)c3ccc(F)cc3)NC(=O)c2s1 |r,wU:10.11,wD:13.14,(20.26,-53.26,;19.79,-51.8,;18.32,-51.32,;18.32,-49.78,;19.79,-49.31,;20.69,-50.55,;22.23,-50.54,;23.14,-51.8,;24.62,-51.32,;25.95,-52.08,;27.27,-51.32,;27.26,-52.86,;28.58,-53.63,;29.92,-52.87,;30.69,-54.2,;29.93,-51.33,;28.6,-50.55,;31.46,-52.87,;32.23,-54.2,;33.77,-54.21,;34.54,-52.87,;36.08,-52.87,;33.76,-51.53,;32.22,-51.54,;27.28,-49.78,;25.95,-49,;25.95,-47.46,;24.62,-49.77,;23.14,-49.29,)| 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 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	130	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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50450850 (CHEMBL4210511) Show SMILES CN1c2cc(sc2C(=O)NC1(C)C)-c1ccncc1 Show InChI InChI=1S/C14H15N3OS/c1-14(2)16-13(18)12-10(17(14)3)8-11(19-12)9-4-6-15-7-5-9/h4-8H,1-3H3,(H,16,18)	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	140	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
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50450862 (CHEMBL4206154) Show SMILES CC1(C)Nc2sc(cc2C(=O)N1)-c1ccncc1 Show InChI InChI=1S/C13H13N3OS/c1-13(2)15-11(17)9-7-10(18-12(9)16-13)8-3-5-14-6-4-8/h3-7,16H,1-2H3,(H,15,17)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	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
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50450858 (CHEMBL4209617) Show SMILES CN1c2cc(sc2C(=O)NC1(C)C)-c1cn[nH]c1 Show InChI InChI=1S/C12H14N4OS/c1-12(2)15-11(17)10-8(16(12)3)4-9(18-10)7-5-13-14-6-7/h4-6H,1-3H3,(H,13,14)(H,15,17)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	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 Cdk2 (1 to 298 residues)/human N-terminal GST-tagged cyclinE (1 to 410 residues) expressed in baculovirus expression ...				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))	BDBM50450840 (CHEMBL4204333) Show SMILES Cc1n[nH]cc1-c1cc2N[C@]3(CC[C@@](O)(CC3)c3ccc(F)cc3)NC(=O)c2s1 |r,wU:10.11,wD:13.14,(20.26,-53.26,;19.79,-51.8,;18.32,-51.32,;18.32,-49.78,;19.79,-49.31,;20.69,-50.55,;22.23,-50.54,;23.14,-51.8,;24.62,-51.32,;25.95,-52.08,;27.27,-51.32,;27.26,-52.86,;28.58,-53.63,;29.92,-52.87,;30.69,-54.2,;29.93,-51.33,;28.6,-50.55,;31.46,-52.87,;32.23,-54.2,;33.77,-54.21,;34.54,-52.87,;36.08,-52.87,;33.76,-51.53,;32.22,-51.54,;27.28,-49.78,;25.95,-49,;25.95,-47.46,;24.62,-49.77,;23.14,-49.29,)| 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	170	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 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of Cdc7 in human HeLa cells assessed as reduction in MCM2 phosphorylation at ser40 residues after 7 hrs by Western blot analysis				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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50450859 (CHEMBL4205235) Show SMILES CN1C(=O)c2sc(cc2NC1(C)C)-c1ccncc1 Show InChI InChI=1S/C14H15N3OS/c1-14(2)16-10-8-11(9-4-6-15-7-5-9)19-12(10)13(18)17(14)3/h4-8,16H,1-3H3	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	240	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
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50450857 (CHEMBL4209096) Show SMILES CN1c2cc(sc2C(=O)NC1(C)C)-c1c[nH]nc1C Show InChI InChI=1S/C13H16N4OS/c1-7-8(6-14-16-7)10-5-9-11(19-10)12(18)15-13(2,3)17(9)4/h5-6H,1-4H3,(H,14,16)(H,15,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	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 Cdk2 (1 to 298 residues)/human N-terminal GST-tagged cyclinE (1 to 410 residues) expressed in baculovirus expression ...				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 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of Cdc7 in human HeLa cells assessed as reduction in MCM2 phosphorylation at ser40 residues after 7 hrs by Western blot analysis				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))	BDBM50450856 (CHEMBL4213496) Show SMILES CN1c2cc(sc2C(=O)NC1(C)C)-c1c(C)n[nH]c1C Show InChI InChI=1S/C14H18N4OS/c1-7-11(8(2)17-16-7)10-6-9-12(20-10)13(19)15-14(3,4)18(9)5/h6H,1-5H3,(H,15,19)(H,16,17)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50450854 (CHEMBL4208876) Show SMILES Cc1n[nH]cc1-c1cc2N[C@]3(CC[C@@](O)(CC3)C3CCCCC3)NC(=O)c2s1 |r,wU:10.11,wD:13.14,(58.03,-53.56,;57.56,-52.1,;56.09,-51.62,;56.09,-50.08,;57.56,-49.61,;58.46,-50.85,;60,-50.85,;60.91,-52.1,;62.38,-51.62,;63.71,-52.38,;65.04,-51.62,;65.03,-53.16,;66.35,-53.93,;67.69,-53.17,;68.46,-54.5,;67.7,-51.63,;66.37,-50.85,;69.23,-53.17,;70,-54.51,;71.53,-54.51,;72.31,-53.18,;71.54,-51.84,;69.99,-51.83,;65.04,-50.08,;63.71,-49.3,;63.72,-47.76,;62.38,-50.07,;60.91,-49.59,)| 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 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	350	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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50450855 (CHEMBL4218429) Show SMILES CCc1n[nH]cc1-c1cc2N(C)C(C)(C)NC(=O)c2s1 Show InChI InChI=1S/C14H18N4OS/c1-5-9-8(7-15-17-9)11-6-10-12(20-11)13(19)16-14(2,3)18(10)4/h6-7H,5H2,1-4H3,(H,15,17)(H,16,19)	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	350	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
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50450855 (CHEMBL4218429) Show SMILES CCc1n[nH]cc1-c1cc2N(C)C(C)(C)NC(=O)c2s1 Show InChI InChI=1S/C14H18N4OS/c1-5-9-8(7-15-17-9)11-6-10-12(20-11)13(19)16-14(2,3)18(10)4/h6-7H,5H2,1-4H3,(H,15,17)(H,16,19)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	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 Cdk2 (1 to 298 residues)/human N-terminal GST-tagged cyclinE (1 to 410 residues) expressed in baculovirus expression ...				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))	BDBM50450854 (CHEMBL4208876) Show SMILES Cc1n[nH]cc1-c1cc2N[C@]3(CC[C@@](O)(CC3)C3CCCCC3)NC(=O)c2s1 |r,wU:10.11,wD:13.14,(58.03,-53.56,;57.56,-52.1,;56.09,-51.62,;56.09,-50.08,;57.56,-49.61,;58.46,-50.85,;60,-50.85,;60.91,-52.1,;62.38,-51.62,;63.71,-52.38,;65.04,-51.62,;65.03,-53.16,;66.35,-53.93,;67.69,-53.17,;68.46,-54.5,;67.7,-51.63,;66.37,-50.85,;69.23,-53.17,;70,-54.51,;71.53,-54.51,;72.31,-53.18,;71.54,-51.84,;69.99,-51.83,;65.04,-50.08,;63.71,-49.3,;63.72,-47.76,;62.38,-50.07,;60.91,-49.59,)| 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	380	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

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