Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'czudor' and Initial = 'z'   

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
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454441 (CHEMBL4217448) Show SMILES COc1ccc(F)c(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)n1 Show InChI InChI=1S/C20H16F2N6O3S2/c1-11-26-27-20(32-11)28-33(29,30)13-5-3-12(4-6-13)24-19-23-10-9-15(25-19)17-16(31-2)8-7-14(21)18(17)22/h3-10H,1-2H3,(H,27,28)(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454411 (CHEMBL4209151) Show SMILES COc1cccc(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1 Show InChI InChI=1S/C22H20FN5O4S/c1-13-14(2)27-32-21(13)28-33(29,30)16-9-7-15(8-10-16)25-22-24-12-11-18(26-22)20-17(23)5-4-6-19(20)31-3/h4-12,28H,1-3H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454379 (CHEMBL4205123) Show SMILES COc1ccc(F)c(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1 Show InChI InChI=1S/C22H19F2N5O4S/c1-12-13(2)28-33-21(12)29-34(30,31)15-6-4-14(5-7-15)26-22-25-11-10-17(27-22)19-18(32-3)9-8-16(23)20(19)24/h4-11,29H,1-3H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454402 (CHEMBL4209357) Show SMILES COc1cccc(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)n1 Show InChI InChI=1S/C20H17FN6O3S2/c1-12-25-26-20(31-12)27-32(28,29)14-8-6-13(7-9-14)23-19-22-11-10-16(24-19)18-15(21)4-3-5-17(18)30-2/h3-11H,1-2H3,(H,26,27)(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454410 (CHEMBL4212641) Show SMILES COc1cccc(F)c1-c1ccnc(Nc2cccc(Cn3cnc4ccccc34)c2)n1 Show InChI InChI=1S/C25H20FN5O/c1-32-23-11-5-8-19(26)24(23)21-12-13-27-25(30-21)29-18-7-4-6-17(14-18)15-31-16-28-20-9-2-3-10-22(20)31/h2-14,16H,15H2,1H3,(H,27,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454396 (CHEMBL4207754) Show SMILES COc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1 Show InChI InChI=1S/C22H20FN5O4S/c1-13-14(2)27-32-21(13)28-33(29,30)17-7-5-16(6-8-17)25-22-24-11-10-19(26-22)18-9-4-15(23)12-20(18)31-3/h4-12,28H,1-3H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454392 (CHEMBL4204526) Show SMILES CCOc1cccc(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1 Show InChI InChI=1S/C23H22FN5O4S/c1-4-32-20-7-5-6-18(24)21(20)19-12-13-25-23(27-19)26-16-8-10-17(11-9-16)34(30,31)29-22-14(2)15(3)28-33-22/h5-13,29H,4H2,1-3H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454382 (CHEMBL4206688) Show SMILES CCOc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)n1 Show InChI InChI=1S/C21H19FN6O3S2/c1-3-31-19-12-14(22)4-9-17(19)18-10-11-23-20(25-18)24-15-5-7-16(8-6-15)33(29,30)28-21-27-26-13(2)32-21/h4-12H,3H2,1-2H3,(H,27,28)(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454399 (CHEMBL4215419) Show SMILES COc1cccc(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)n1 Show InChI InChI=1S/C20H16FN5O3S2/c1-29-17-4-2-3-15(21)18(17)16-9-10-22-19(25-16)24-13-5-7-14(8-6-13)31(27,28)26-20-23-11-12-30-20/h2-12H,1H3,(H,23,26)(H,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454397 (CHEMBL4215514) Show SMILES COc1ccccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1 Show InChI InChI=1S/C22H21N5O4S/c1-14-15(2)26-31-21(14)27-32(28,29)17-10-8-16(9-11-17)24-22-23-13-12-19(25-22)18-6-4-5-7-20(18)30-3/h4-13,27H,1-3H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454384 (CHEMBL4205779) Show SMILES COc1ccccc1-c1ccnc(Nc2cccc(Cn3cnc4ccccc34)c2)n1 Show InChI InChI=1S/C25H21N5O/c1-31-24-12-5-2-9-20(24)21-13-14-26-25(29-21)28-19-8-6-7-18(15-19)16-30-17-27-22-10-3-4-11-23(22)30/h2-15,17H,16H2,1H3,(H,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454453 (CHEMBL4211020) Show SMILES COc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2noc(C)c2C)n1 Show InChI InChI=1S/C22H20FN5O4S/c1-13-14(2)32-27-21(13)28-33(29,30)17-7-5-16(6-8-17)25-22-24-11-10-19(26-22)18-9-4-15(23)12-20(18)31-3/h4-12H,1-3H3,(H,27,28)(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454383 (CHEMBL4206359) Show SMILES COc1cc(F)ccc1-c1ccnc(Nc2cccc(Cn3cnc4ccccc34)c2)n1 Show InChI InChI=1S/C25H20FN5O/c1-32-24-14-18(26)9-10-20(24)21-11-12-27-25(30-21)29-19-6-4-5-17(13-19)15-31-16-28-22-7-2-3-8-23(22)31/h2-14,16H,15H2,1H3,(H,27,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50139171 (Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...) Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454387 (CHEMBL4216304) Show SMILES COc1ccccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2noc(C)c2C)n1 Show InChI InChI=1S/C22H21N5O4S/c1-14-15(2)31-26-21(14)27-32(28,29)17-10-8-16(9-11-17)24-22-23-13-12-19(25-22)18-6-4-5-7-20(18)30-3/h4-13H,1-3H3,(H,26,27)(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50467014 (CHEMBL4279747) Show SMILES CNC(=O)Nc1sc2c(cc(NS(=O)(=O)c3ccn(C)n3)cc2c1C(N)=O)C(C)C Show InChI InChI=1S/C18H22N6O4S2/c1-9(2)11-7-10(23-30(27,28)13-5-6-24(4)22-13)8-12-14(16(19)25)17(29-15(11)12)21-18(26)20-3/h5-9,23H,1-4H3,(H2,19,25)(H2,20,21,26)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
MTA-SE Pathobiochemistry Research Group Curated by ChEMBL					Assay Description Inhibition of recombinant Aurora A (unknown origin) using TAMRA-PKAtide as substrate after 30 mins by fluorescence polarization assay				Bioorg Med Chem Lett 28: 3265-3270 (2018) Article DOI: 10.1016/j.bmcl.2018.05.064 BindingDB Entry DOI: 10.7270/Q2G44SZX
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454404 (CHEMBL4209987) Show SMILES CCOc1cc(Cl)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)n1 Show InChI InChI=1S/C21H19ClN6O3S2/c1-3-31-19-12-14(22)4-9-17(19)18-10-11-23-20(25-18)24-15-5-7-16(8-6-15)33(29,30)28-21-27-26-13(2)32-21/h4-12H,3H2,1-2H3,(H,27,28)(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454386 (CHEMBL4205084) Show SMILES COc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2noc3ccccc23)n1 Show InChI InChI=1S/C24H18FN5O4S/c1-33-22-14-15(25)6-11-18(22)20-12-13-26-24(28-20)27-16-7-9-17(10-8-16)35(31,32)30-23-19-4-2-3-5-21(19)34-29-23/h2-14H,1H3,(H,29,30)(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454385 (CHEMBL4218213) Show SMILES COc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)n1 Show InChI InChI=1S/C20H17FN6O3S2/c1-12-25-26-20(31-12)27-32(28,29)15-6-4-14(5-7-15)23-19-22-10-9-17(24-19)16-8-3-13(21)11-18(16)30-2/h3-11H,1-2H3,(H,26,27)(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454456 (CHEMBL4213505) Show SMILES Cc1noc(NS(=O)(=O)c2ccc(Nc3nccc(n3)-c3ccc(F)cc3C)cc2)c1C Show InChI InChI=1S/C22H20FN5O3S/c1-13-12-16(23)4-9-19(13)20-10-11-24-22(26-20)25-17-5-7-18(8-6-17)32(29,30)28-21-14(2)15(3)27-31-21/h4-12,28H,1-3H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454395 (CHEMBL4203989) Show SMILES COc1cc(F)c(F)cc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1 Show InChI InChI=1S/C22H19F2N5O4S/c1-12-13(2)28-33-21(12)29-34(30,31)15-6-4-14(5-7-15)26-22-25-9-8-19(27-22)16-10-17(23)18(24)11-20(16)32-3/h4-11,29H,1-3H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454393 (CHEMBL4216190) Show SMILES CCOc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1 Show InChI InChI=1S/C23H22FN5O4S/c1-4-32-21-13-16(24)5-10-19(21)20-11-12-25-23(27-20)26-17-6-8-18(9-7-17)34(30,31)29-22-14(2)15(3)28-33-22/h5-13,29H,4H2,1-3H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50467013 (CHEMBL4290876) Show SMILES CNC(=O)Nc1sc2c(cc(NS(=O)(=O)N(C)C)cc2c1C(N)=O)C(C)C Show InChI InChI=1S/C16H23N5O4S2/c1-8(2)10-6-9(20-27(24,25)21(4)5)7-11-12(14(17)22)15(26-13(10)11)19-16(23)18-3/h6-8,20H,1-5H3,(H2,17,22)(H2,18,19,23)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
MTA-SE Pathobiochemistry Research Group Curated by ChEMBL					Assay Description Inhibition of recombinant Aurora A (unknown origin) using TAMRA-PKAtide as substrate after 30 mins by fluorescence polarization assay				Bioorg Med Chem Lett 28: 3265-3270 (2018) Article DOI: 10.1016/j.bmcl.2018.05.064 BindingDB Entry DOI: 10.7270/Q2G44SZX
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454457 (CHEMBL4203224) Show SMILES COc1ccc(F)cc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1 Show InChI InChI=1S/C22H20FN5O4S/c1-13-14(2)27-32-21(13)28-33(29,30)17-7-5-16(6-8-17)25-22-24-11-10-19(26-22)18-12-15(23)4-9-20(18)31-3/h4-12,28H,1-3H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454445 (CHEMBL4203392) Show SMILES COc1ccc(c(OC)c1)-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1 Show InChI InChI=1S/C23H23N5O5S/c1-14-15(2)27-33-22(14)28-34(29,30)18-8-5-16(6-9-18)25-23-24-12-11-20(26-23)19-10-7-17(31-3)13-21(19)32-4/h5-13,28H,1-4H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454440 (CHEMBL4217685) Show SMILES COc1ccc(F)cc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)n1 Show InChI InChI=1S/C20H17FN6O3S2/c1-12-25-26-20(31-12)27-32(28,29)15-6-4-14(5-7-15)23-19-22-10-9-17(24-19)16-11-13(21)3-8-18(16)30-2/h3-11H,1-2H3,(H,26,27)(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454403 (CHEMBL4210799) Show SMILES COc1cc(F)c(F)cc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)n1 Show InChI InChI=1S/C20H16F2N6O3S2/c1-11-26-27-20(32-11)28-33(29,30)13-5-3-12(4-6-13)24-19-23-8-7-17(25-19)14-9-15(21)16(22)10-18(14)31-2/h3-10H,1-2H3,(H,27,28)(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50467019 (CHEMBL4277642) Show SMILES CCCNS(=O)(=O)Nc1cc(C(C)C)c2sc(NC(=O)NC)c(C(N)=O)c2c1 Show InChI InChI=1S/C17H25N5O4S2/c1-5-6-20-28(25,26)22-10-7-11(9(2)3)14-12(8-10)13(15(18)23)16(27-14)21-17(24)19-4/h7-9,20,22H,5-6H2,1-4H3,(H2,18,23)(H2,19,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
MTA-SE Pathobiochemistry Research Group Curated by ChEMBL					Assay Description Inhibition of recombinant Aurora B (unknown origin) using TAMRA-PKAtide as substrate after 1 hr by fluorescence polarization assay				Bioorg Med Chem Lett 28: 3265-3270 (2018) Article DOI: 10.1016/j.bmcl.2018.05.064 BindingDB Entry DOI: 10.7270/Q2G44SZX
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454389 (CHEMBL4216726) Show SMILES Cc1noc(NS(=O)(=O)c2ccc(Nc3nccc(n3)-c3ccc(F)cc3F)cc2)c1C Show InChI InChI=1S/C21H17F2N5O3S/c1-12-13(2)27-31-20(12)28-32(29,30)16-6-4-15(5-7-16)25-21-24-10-9-19(26-21)17-8-3-14(22)11-18(17)23/h3-11,28H,1-2H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454394 (CHEMBL4205921) Show SMILES COc1cc(Cl)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1 Show InChI InChI=1S/C22H20ClN5O4S/c1-13-14(2)27-32-21(13)28-33(29,30)17-7-5-16(6-8-17)25-22-24-11-10-19(26-22)18-9-4-15(23)12-20(18)31-3/h4-12,28H,1-3H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454401 (CHEMBL4202527) Show SMILES COc1ccccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)n1 Show InChI InChI=1S/C20H18N6O3S2/c1-13-24-25-20(30-13)26-31(27,28)15-9-7-14(8-10-15)22-19-21-12-11-17(23-19)16-5-3-4-6-18(16)29-2/h3-12H,1-2H3,(H,25,26)(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454390 (CHEMBL4215592) Show SMILES CSc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1 Show InChI InChI=1S/C22H20FN5O3S2/c1-13-14(2)27-31-21(13)28-33(29,30)17-7-5-16(6-8-17)25-22-24-11-10-19(26-22)18-9-4-15(23)12-20(18)32-3/h4-12,28H,1-3H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454449 (CHEMBL4211337) Show SMILES COc1ccc(c(OC)c1)-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)n1 Show InChI InChI=1S/C21H20N6O4S2/c1-13-25-26-21(32-13)27-33(28,29)16-7-4-14(5-8-16)23-20-22-11-10-18(24-20)17-9-6-15(30-2)12-19(17)31-3/h4-12H,1-3H3,(H,26,27)(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50467014 (CHEMBL4279747) Show SMILES CNC(=O)Nc1sc2c(cc(NS(=O)(=O)c3ccn(C)n3)cc2c1C(N)=O)C(C)C Show InChI InChI=1S/C18H22N6O4S2/c1-9(2)11-7-10(23-30(27,28)13-5-6-24(4)22-13)8-12-14(16(19)25)17(29-15(11)12)21-18(26)20-3/h5-9,23H,1-4H3,(H2,19,25)(H2,20,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
MTA-SE Pathobiochemistry Research Group Curated by ChEMBL					Assay Description Inhibition of recombinant Aurora B (unknown origin) using TAMRA-PKAtide as substrate after 1 hr by fluorescence polarization assay				Bioorg Med Chem Lett 28: 3265-3270 (2018) Article DOI: 10.1016/j.bmcl.2018.05.064 BindingDB Entry DOI: 10.7270/Q2G44SZX
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454391 (CHEMBL4204994) Show SMILES CCOc1cc(Cl)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1 Show InChI InChI=1S/C23H22ClN5O4S/c1-4-32-21-13-16(24)5-10-19(21)20-11-12-25-23(27-20)26-17-6-8-18(9-7-17)34(30,31)29-22-14(2)15(3)28-33-22/h5-13,29H,4H2,1-3H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50467019 (CHEMBL4277642) Show SMILES CCCNS(=O)(=O)Nc1cc(C(C)C)c2sc(NC(=O)NC)c(C(N)=O)c2c1 Show InChI InChI=1S/C17H25N5O4S2/c1-5-6-20-28(25,26)22-10-7-11(9(2)3)14-12(8-10)13(15(18)23)16(27-14)21-17(24)19-4/h7-9,20,22H,5-6H2,1-4H3,(H2,18,23)(H2,19,21,24)	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	21	n/a	n/a	n/a	n/a	n/a	n/a
MTA-SE Pathobiochemistry Research Group Curated by ChEMBL					Assay Description Inhibition of recombinant Aurora A (unknown origin) using TAMRA-PKAtide as substrate after 30 mins by fluorescence polarization assay				Bioorg Med Chem Lett 28: 3265-3270 (2018) Article DOI: 10.1016/j.bmcl.2018.05.064 BindingDB Entry DOI: 10.7270/Q2G44SZX
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454380 (CHEMBL4216857) Show SMILES COc1cc(F)c(c(F)c1)-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1 Show InChI InChI=1S/C22H19F2N5O4S/c1-12-13(2)28-33-21(12)29-34(30,31)16-6-4-14(5-7-16)26-22-25-9-8-19(27-22)20-17(23)10-15(32-3)11-18(20)24/h4-11,29H,1-3H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50467013 (CHEMBL4290876) Show SMILES CNC(=O)Nc1sc2c(cc(NS(=O)(=O)N(C)C)cc2c1C(N)=O)C(C)C Show InChI InChI=1S/C16H23N5O4S2/c1-8(2)10-6-9(20-27(24,25)21(4)5)7-11-12(14(17)22)15(26-13(10)11)19-16(23)18-3/h6-8,20H,1-5H3,(H2,17,22)(H2,18,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
MTA-SE Pathobiochemistry Research Group Curated by ChEMBL					Assay Description Inhibition of recombinant Aurora B (unknown origin) using TAMRA-PKAtide as substrate after 1 hr by fluorescence polarization assay				Bioorg Med Chem Lett 28: 3265-3270 (2018) Article DOI: 10.1016/j.bmcl.2018.05.064 BindingDB Entry DOI: 10.7270/Q2G44SZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50467017 (CHEMBL4284087) Show SMILES CCS(=O)(=O)Nc1cc(C(C)C)c2sc(NC(=O)NC)c(C(N)=O)c2c1 Show InChI InChI=1S/C16H22N4O4S2/c1-5-26(23,24)20-9-6-10(8(2)3)13-11(7-9)12(14(17)21)15(25-13)19-16(22)18-4/h6-8,20H,5H2,1-4H3,(H2,17,21)(H2,18,19,22)	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	24	n/a	n/a	n/a	n/a	n/a	n/a
MTA-SE Pathobiochemistry Research Group Curated by ChEMBL					Assay Description Inhibition of recombinant Aurora A (unknown origin) using TAMRA-PKAtide as substrate after 30 mins by fluorescence polarization assay				Bioorg Med Chem Lett 28: 3265-3270 (2018) Article DOI: 10.1016/j.bmcl.2018.05.064 BindingDB Entry DOI: 10.7270/Q2G44SZX
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454381 (CHEMBL4216734) Show SMILES COc1cccc(Cl)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1 Show InChI InChI=1S/C22H20ClN5O4S/c1-13-14(2)27-32-21(13)28-33(29,30)16-9-7-15(8-10-16)25-22-24-12-11-18(26-22)20-17(23)5-4-6-19(20)31-3/h4-12,28H,1-3H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50467020 (CHEMBL4288081) Show SMILES CNC(=O)Nc1sc2c(cc(NS(=O)(=O)c3cccs3)cc2c1C(N)=O)C(C)C Show InChI InChI=1S/C18H20N4O4S3/c1-9(2)11-7-10(22-29(25,26)13-5-4-6-27-13)8-12-14(16(19)23)17(28-15(11)12)21-18(24)20-3/h4-9,22H,1-3H3,(H2,19,23)(H2,20,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
MTA-SE Pathobiochemistry Research Group Curated by ChEMBL					Assay Description Inhibition of recombinant Aurora B (unknown origin) using TAMRA-PKAtide as substrate after 1 hr by fluorescence polarization assay				Bioorg Med Chem Lett 28: 3265-3270 (2018) Article DOI: 10.1016/j.bmcl.2018.05.064 BindingDB Entry DOI: 10.7270/Q2G44SZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50467020 (CHEMBL4288081) Show SMILES CNC(=O)Nc1sc2c(cc(NS(=O)(=O)c3cccs3)cc2c1C(N)=O)C(C)C Show InChI InChI=1S/C18H20N4O4S3/c1-9(2)11-7-10(22-29(25,26)13-5-4-6-27-13)8-12-14(16(19)23)17(28-15(11)12)21-18(24)20-3/h4-9,22H,1-3H3,(H2,19,23)(H2,20,21,24)	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	32	n/a	n/a	n/a	n/a	n/a	n/a
MTA-SE Pathobiochemistry Research Group Curated by ChEMBL					Assay Description Inhibition of recombinant Aurora A (unknown origin) using TAMRA-PKAtide as substrate after 30 mins by fluorescence polarization assay				Bioorg Med Chem Lett 28: 3265-3270 (2018) Article DOI: 10.1016/j.bmcl.2018.05.064 BindingDB Entry DOI: 10.7270/Q2G44SZX
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454442 (CHEMBL4204402) Show SMILES COc1ccccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)n1 Show InChI InChI=1S/C20H17N5O3S2/c1-28-18-5-3-2-4-16(18)17-10-11-21-19(24-17)23-14-6-8-15(9-7-14)30(26,27)25-20-22-12-13-29-20/h2-13H,1H3,(H,22,25)(H,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50467015 (CHEMBL4289877) Show SMILES CNC(=O)Nc1sc2c(cc(NS(=O)(=O)c3ccccc3)cc2c1C(N)=O)C(C)C Show InChI InChI=1S/C20H22N4O4S2/c1-11(2)14-9-12(24-30(27,28)13-7-5-4-6-8-13)10-15-16(18(21)25)19(29-17(14)15)23-20(26)22-3/h4-11,24H,1-3H3,(H2,21,25)(H2,22,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
MTA-SE Pathobiochemistry Research Group Curated by ChEMBL					Assay Description Inhibition of recombinant Aurora B (unknown origin) using TAMRA-PKAtide as substrate after 1 hr by fluorescence polarization assay				Bioorg Med Chem Lett 28: 3265-3270 (2018) Article DOI: 10.1016/j.bmcl.2018.05.064 BindingDB Entry DOI: 10.7270/Q2G44SZX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50467015 (CHEMBL4289877) Show SMILES CNC(=O)Nc1sc2c(cc(NS(=O)(=O)c3ccccc3)cc2c1C(N)=O)C(C)C Show InChI InChI=1S/C20H22N4O4S2/c1-11(2)14-9-12(24-30(27,28)13-7-5-4-6-8-13)10-15-16(18(21)25)19(29-17(14)15)23-20(26)22-3/h4-11,24H,1-3H3,(H2,21,25)(H2,22,23,26)	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
MTA-SE Pathobiochemistry Research Group Curated by ChEMBL					Assay Description Inhibition of recombinant Aurora A (unknown origin) using TAMRA-PKAtide as substrate after 30 mins by fluorescence polarization assay				Bioorg Med Chem Lett 28: 3265-3270 (2018) Article DOI: 10.1016/j.bmcl.2018.05.064 BindingDB Entry DOI: 10.7270/Q2G44SZX
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50467017 (CHEMBL4284087) Show SMILES CCS(=O)(=O)Nc1cc(C(C)C)c2sc(NC(=O)NC)c(C(N)=O)c2c1 Show InChI InChI=1S/C16H22N4O4S2/c1-5-26(23,24)20-9-6-10(8(2)3)13-11(7-9)12(14(17)21)15(25-13)19-16(22)18-4/h6-8,20H,5H2,1-4H3,(H2,17,21)(H2,18,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
MTA-SE Pathobiochemistry Research Group Curated by ChEMBL					Assay Description Inhibition of recombinant Aurora B (unknown origin) using TAMRA-PKAtide as substrate after 1 hr by fluorescence polarization assay				Bioorg Med Chem Lett 28: 3265-3270 (2018) Article DOI: 10.1016/j.bmcl.2018.05.064 BindingDB Entry DOI: 10.7270/Q2G44SZX
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454446 (CHEMBL4209469) Show SMILES COc1cc(F)ccc1-c1cc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)ncn1 Show InChI InChI=1S/C22H20FN5O4S/c1-13-14(2)27-32-22(13)28-33(29,30)17-7-5-16(6-8-17)26-21-11-19(24-12-25-21)18-9-4-15(23)10-20(18)31-3/h4-12,28H,1-3H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50004205 (MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
MTA-SE Pathobiochemistry Research Group Curated by ChEMBL					Assay Description Inhibition of recombinant Aurora B (unknown origin) using TAMRA-PKAtide as substrate after 1 hr by fluorescence polarization assay				Bioorg Med Chem Lett 28: 3265-3270 (2018) Article DOI: 10.1016/j.bmcl.2018.05.064 BindingDB Entry DOI: 10.7270/Q2G44SZX
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50467012 (CHEMBL4286456) Show SMILES CNC(=O)Nc1sc2c(cc(NS(=O)(=O)c3cccc(C)c3)cc2c1C(N)=O)C(C)C Show InChI InChI=1S/C21H24N4O4S2/c1-11(2)15-9-13(25-31(28,29)14-7-5-6-12(3)8-14)10-16-17(19(22)26)20(30-18(15)16)24-21(27)23-4/h5-11,25H,1-4H3,(H2,22,26)(H2,23,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
MTA-SE Pathobiochemistry Research Group Curated by ChEMBL					Assay Description Inhibition of recombinant Aurora B (unknown origin) using TAMRA-PKAtide as substrate after 1 hr by fluorescence polarization assay				Bioorg Med Chem Lett 28: 3265-3270 (2018) Article DOI: 10.1016/j.bmcl.2018.05.064 BindingDB Entry DOI: 10.7270/Q2G44SZX
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50467016 (CHEMBL4284263) Show SMILES CNC(=O)Nc1sc2c(cc(NS(=O)(=O)c3cc(C)cs3)cc2c1C(N)=O)C(C)C Show InChI InChI=1S/C19H22N4O4S3/c1-9(2)12-6-11(23-30(26,27)14-5-10(3)8-28-14)7-13-15(17(20)24)18(29-16(12)13)22-19(25)21-4/h5-9,23H,1-4H3,(H2,20,24)(H2,21,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
MTA-SE Pathobiochemistry Research Group Curated by ChEMBL					Assay Description Inhibition of recombinant Aurora B (unknown origin) using TAMRA-PKAtide as substrate after 1 hr by fluorescence polarization assay				Bioorg Med Chem Lett 28: 3265-3270 (2018) Article DOI: 10.1016/j.bmcl.2018.05.064 BindingDB Entry DOI: 10.7270/Q2G44SZX
					More data for this Ligand-Target Pair

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