Compile Data Set for Download or QSAR

Found 316 hits with Last Name = 'dobos' and Initial = 'j'   

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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50300690 (1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1 Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd Curated by ChEMBL					Assay Description Inhibition of human partial length FLT3 ITD mutant expressed in bacterial expression system by Kinomescan method				Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111710 BindingDB Entry DOI: 10.7270/Q27947ZV
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50277584 (CHEMBL482968 | N-(5-methyl-1H-pyrazol-3-yl)-6-(4-m...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(C=Cc2ccccc2)n1 |w:19.20| Show InChI InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin)				Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111710 BindingDB Entry DOI: 10.7270/Q27947ZV
					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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50504574 (CHEMBL4469622) Show SMILES [H][C@]12C[C@](C)(CO)[C@](C)(O1)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C27H23N3O3/c1-26(13-31)11-19-29-17-9-5-3-7-14(17)20-16-12-28-25(32)22(16)21-15-8-4-6-10-18(15)30(24(21)23(20)29)27(26,2)33-19/h3-10,19,31H,11-13H2,1-2H3,(H,28,32)/t19-,26-,27+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Vichem Chemie Research Ltd Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) autophosphorylation expressed in BaF3 cells				Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111710 BindingDB Entry DOI: 10.7270/Q27947ZV
					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))	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))	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))	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))	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))	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))	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))	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
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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50300690 (1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1 Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd Curated by ChEMBL					Assay Description Inhibition of wild-type human partial length FLT3 (V592 to Y969 residues) expressed in bacterial expression system by Kinomescan method				Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111710 BindingDB Entry DOI: 10.7270/Q27947ZV
					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))	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))	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))	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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50355496 (CHEMBL1908397) Show SMILES O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1 Show InChI InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd Curated by ChEMBL					Assay Description Inhibition of human FLT3				Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111710 BindingDB Entry DOI: 10.7270/Q27947ZV
					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
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))	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))	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
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50277584 (CHEMBL482968 | N-(5-methyl-1H-pyrazol-3-yl)-6-(4-m...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(C=Cc2ccccc2)n1 |w:19.20| Show InChI InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged PDGFR alpha (550 to 1089 residues) expressed in baculovirus expression system				Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111710 BindingDB Entry DOI: 10.7270/Q27947ZV
					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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50277584 (CHEMBL482968 | N-(5-methyl-1H-pyrazol-3-yl)-6-(4-m...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(C=Cc2ccccc2)n1 |w:19.20| Show InChI InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human full length His-tagged Src expressed in baculovirus expression system				Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111710 BindingDB Entry DOI: 10.7270/Q27947ZV
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50277584 (CHEMBL482968 | N-(5-methyl-1H-pyrazol-3-yl)-6-(4-m...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(C=Cc2ccccc2)n1 |w:19.20| Show InChI InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged FMS expressed in baculovirus expression system				Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111710 BindingDB Entry DOI: 10.7270/Q27947ZV
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50277584 (CHEMBL482968 | N-(5-methyl-1H-pyrazol-3-yl)-6-(4-m...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(C=Cc2ccccc2)n1 |w:19.20| Show InChI InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged RET expressed in baculovirus expression system				Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111710 BindingDB Entry DOI: 10.7270/Q27947ZV
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50277584 (CHEMBL482968 | N-(5-methyl-1H-pyrazol-3-yl)-6-(4-m...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(C=Cc2ccccc2)n1 |w:19.20| Show InChI InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged VEGFR 2 expressed in baculovirus expression system				Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111710 BindingDB Entry DOI: 10.7270/Q27947ZV
					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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50177716 (CHEMBL3813873 | US11679110, Compound Pexidartinib ...) Show SMILES FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1 Show InChI InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant FLT3 ITD mutant (unknown origin)				Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111710 BindingDB Entry DOI: 10.7270/Q27947ZV
					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))	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
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50177716 (CHEMBL3813873 | US11679110, Compound Pexidartinib ...) Show SMILES FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1 Show InChI InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant FMS (unknown origin)				Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111710 BindingDB Entry DOI: 10.7270/Q27947ZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 A (Homo sapiens (Human))	BDBM50277584 (CHEMBL482968 | N-(5-methyl-1H-pyrazol-3-yl)-6-(4-m...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(C=Cc2ccccc2)n1 |w:19.20| Show InChI InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human aurora A using peptide substrate in presence of ATP at its Km concentration by Z-lyte kinase a...				Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111710 BindingDB Entry DOI: 10.7270/Q27947ZV
					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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50177716 (CHEMBL3813873 | US11679110, Compound Pexidartinib ...) Show SMILES FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1 Show InChI InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd Curated by ChEMBL					Assay Description Inhibition of FL3 ITD mutant in human MV4-11 cells				Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111710 BindingDB Entry DOI: 10.7270/Q27947ZV
					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
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
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50177716 (CHEMBL3813873 | US11679110, Compound Pexidartinib ...) Show SMILES FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1 Show InChI InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant c-kit (unknown origin)				Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111710 BindingDB Entry DOI: 10.7270/Q27947ZV
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50326053 (CHEMBL608533 | PKC-412) Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd Curated by ChEMBL					Assay Description Inhibition of FLT3 ITD mutant (unknown origin)				Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111710 BindingDB Entry DOI: 10.7270/Q27947ZV
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50300690 (1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1 Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd Curated by ChEMBL					Assay Description Inhibition of FLT3 ITD mutant (unknown origin) using TAMRA-Src-tide as substrate measured after 1 hr in presence of ATP at its Km concentration by IM...				Eur J Med Chem 184: (2019) Article DOI: 10.1016/j.ejmech.2019.111710 BindingDB Entry DOI: 10.7270/Q27947ZV
					More data for this Ligand-Target Pair

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