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 | |