Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50001147 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 |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50209759
(CHEMBL3884839)Show SMILES COCCn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C19H19ClN6O3/c1-3-17(27)24-15-6-4-5-7-16(15)29-18-14(20)11-21-19(25-18)23-13-10-22-26(12-13)8-9-28-2/h3-7,10-12H,1,8-9H2,2H3,(H,24,27)(H,21,23,25) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of FLT3 (unknown origin) |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50209748
(CHEMBL3884960)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H25ClN6O2/c1-3-22(32)28-20-6-4-5-7-21(20)33-23-19(25)16-26-24(29-23)27-17-8-10-18(11-9-17)31-14-12-30(2)13-15-31/h3-11,16H,1,12-15H2,2H3,(H,28,32)(H,26,27,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of FLT3 (unknown origin) |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209760
(CHEMBL3885421)Show SMILES CC(=O)N1CCN(CC1)c1cccc(Nc2ncc(Cl)c(Nc3ccccc3OC(=O)C=C)n2)c1 Show InChI InChI=1S/C25H25ClN6O3/c1-3-23(34)35-22-10-5-4-9-21(22)29-24-20(26)16-27-25(30-24)28-18-7-6-8-19(15-18)32-13-11-31(12-14-32)17(2)33/h3-10,15-16H,1,11-14H2,2H3,(H2,27,28,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209759
(CHEMBL3884839)Show SMILES COCCn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C19H19ClN6O3/c1-3-17(27)24-15-6-4-5-7-16(15)29-18-14(20)11-21-19(25-18)23-13-10-22-26(12-13)8-9-28-2/h3-7,10-12H,1,8-9H2,2H3,(H,24,27)(H,21,23,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209653
(CHEMBL3884616)Show SMILES Clc1cnc(Nc2cccc(c2)N2CCOCC2)nc1Nc1ccccc1OC(=O)C=C Show InChI InChI=1S/C23H22ClN5O3/c1-2-21(30)32-20-9-4-3-8-19(20)27-22-18(24)15-25-23(28-22)26-16-6-5-7-17(14-16)29-10-12-31-13-11-29/h2-9,14-15H,1,10-13H2,(H2,25,26,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209662
(CHEMBL3884569)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3OC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H25ClN6O2/c1-3-22(32)33-21-7-5-4-6-20(21)28-23-19(25)16-26-24(29-23)27-17-8-10-18(11-9-17)31-14-12-30(2)13-15-31/h3-11,16H,1,12-15H2,2H3,(H2,26,27,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209657
(CHEMBL3884229)Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1Nc1ccccc1OC(=O)C=C Show InChI InChI=1S/C23H22ClN5O3/c1-2-21(30)32-20-6-4-3-5-19(20)27-22-18(24)15-25-23(28-22)26-16-7-9-17(10-8-16)29-11-13-31-14-12-29/h2-10,15H,1,11-14H2,(H2,25,26,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209660
(CHEMBL3884281)Show SMILES Clc1cnc(Nc2cnn(c2)C2CCOCC2)nc1Oc1ccccc1NC(=O)C=C Show InChI InChI=1S/C21H21ClN6O3/c1-2-19(29)26-17-5-3-4-6-18(17)31-20-16(22)12-23-21(27-20)25-14-11-24-28(13-14)15-7-9-30-10-8-15/h2-6,11-13,15H,1,7-10H2,(H,26,29)(H,23,25,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209748
(CHEMBL3884960)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H25ClN6O2/c1-3-22(32)28-20-6-4-5-7-21(20)33-23-19(25)16-26-24(29-23)27-17-8-10-18(11-9-17)31-14-12-30(2)13-15-31/h3-11,16H,1,12-15H2,2H3,(H,28,32)(H,26,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50042034
((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...)Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:19,t:10| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209753
(CHEMBL3884642)Show SMILES FC(F)n1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C17H13ClF2N6O2/c1-2-14(27)24-12-5-3-4-6-13(12)28-15-11(18)8-21-17(25-15)23-10-7-22-26(9-10)16(19)20/h2-9,16H,1H2,(H,24,27)(H,21,23,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209758
(CHEMBL3884143)Show SMILES Cn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C17H15ClN6O2/c1-3-15(25)22-13-6-4-5-7-14(13)26-16-12(18)9-19-17(23-16)21-11-8-20-24(2)10-11/h3-10H,1H2,2H3,(H,22,25)(H,19,21,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50269620
(CHEMBL4128584)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3NC(=O)CCl)n2)cc1 Show InChI InChI=1S/C23H25Cl2N7O/c1-31-10-12-32(13-11-31)17-8-6-16(7-9-17)27-23-26-15-18(25)22(30-23)29-20-5-3-2-4-19(20)28-21(33)14-24/h2-9,15H,10-14H2,1H3,(H,28,33)(H2,26,27,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50269622
(CHEMBL4129274)Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCN3CCN(CC3)c3ccc(Nc4ncc(Cl)c(Nc5ccccc5NC(=O)C=C)n4)cc3)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C41H55ClN10O6S/c1-2-36(53)46-32-7-3-4-8-33(32)47-39-31(42)27-44-40(50-39)45-29-11-13-30(14-12-29)52-18-16-51(17-19-52)20-22-57-24-26-58-25-23-56-21-15-43-37(54)10-6-5-9-35-38-34(28-59-35)48-41(55)49-38/h2-4,7-8,11-14,27,34-35,38H,1,5-6,9-10,15-26,28H2,(H,43,54)(H,46,53)(H2,48,49,55)(H2,44,45,47,50)/t34-,35-,38-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of TAK1 (unknown origin) after 60 mins by biochemical assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209651
(CHEMBL3883384)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H26ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h3-11,16H,1,12-15H2,2H3,(H,28,33)(H2,26,27,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209755
(CHEMBL3884914)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C3CC3)c(Oc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C27H30N6O2/c1-3-25(34)30-23-6-4-5-7-24(23)35-26-22(19-8-9-19)18-28-27(31-26)29-20-10-12-21(13-11-20)33-16-14-32(2)15-17-33/h3-7,10-13,18-19H,1,8-9,14-17H2,2H3,(H,30,34)(H,28,29,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209673
(CHEMBL3883761)Show SMILES COc1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1Oc1ccccc1NC(=O)C=C Show InChI InChI=1S/C25H28N6O3/c1-4-23(32)28-20-7-5-6-8-21(20)34-24-22(33-3)17-26-25(29-24)27-18-9-11-19(12-10-18)31-15-13-30(2)14-16-31/h4-12,17H,1,13-16H2,2-3H3,(H,28,32)(H,26,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209757
(CHEMBL3884813)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Sc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H25ClN6OS/c1-3-22(32)28-20-6-4-5-7-21(20)33-23-19(25)16-26-24(29-23)27-17-8-10-18(11-9-17)31-14-12-30(2)13-15-31/h3-11,16H,1,12-15H2,2H3,(H,28,32)(H,26,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209752
(CHEMBL3885038)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Oc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C25H28N6O2/c1-4-23(32)28-21-7-5-6-8-22(21)33-24-18(2)17-26-25(29-24)27-19-9-11-20(12-10-19)31-15-13-30(3)14-16-31/h4-12,17H,1,13-16H2,2-3H3,(H,28,32)(H,26,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209652
(CHEMBL3884555)Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Oc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H26N6O2/c1-3-22(31)27-20-6-4-5-7-21(20)32-23-12-13-25-24(28-23)26-18-8-10-19(11-9-18)30-16-14-29(2)15-17-30/h3-13H,1,14-17H2,2H3,(H,27,31)(H,25,26,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50269616
(CHEMBL4127488)Show SMILES CCC(=O)Nc1ccccc1Oc1nc(Nc2cnn(CCOC)c2)ncc1Cl Show InChI InChI=1S/C19H21ClN6O3/c1-3-17(27)24-15-6-4-5-7-16(15)29-18-14(20)11-21-19(25-18)23-13-10-22-26(12-13)8-9-28-2/h4-7,10-12H,3,8-9H2,1-2H3,(H,24,27)(H,21,23,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209754
(CHEMBL3884293)Show SMILES CCC(=O)Nc1ccccc1Nc1nc(Nc2ccc(cc2)N2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C24H28ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h4-11,16H,3,12-15H2,1-2H3,(H,28,33)(H2,26,27,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50269621
(CHEMBL4129949)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccc(NC(C)=O)cc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C26H29ClN8O2/c1-4-24(37)31-23-15-19(29-17(2)36)7-10-22(23)32-25-21(27)16-28-26(33-25)30-18-5-8-20(9-6-18)35-13-11-34(3)12-14-35/h4-10,15-16H,1,11-14H2,2-3H3,(H,29,36)(H,31,37)(H2,28,30,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209756
(CHEMBL3884215)Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(N)c(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H26ClN7O2/c1-3-20(33)28-18-6-4-5-7-19(18)34-23-21(25)22(26)29-24(30-23)27-16-8-10-17(11-9-16)32-14-12-31(2)13-15-32/h3-11H,1,12-15H2,2H3,(H,28,33)(H3,26,27,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209655
(CHEMBL3885053)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccccc4NC(=O)C=C)c3n2)cc1 Show InChI InChI=1S/C26H27N7O/c1-3-24(34)29-22-6-4-5-7-23(22)33-13-12-19-18-27-26(30-25(19)33)28-20-8-10-21(11-9-20)32-16-14-31(2)15-17-32/h3-13,18H,1,14-17H2,2H3,(H,29,34)(H,27,28,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209654
(CHEMBL3884614)Show SMILES CCC(=O)Nc1ccccc1Oc1nc(Nc2ccc(cc2)N2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C24H27ClN6O2/c1-3-22(32)28-20-6-4-5-7-21(20)33-23-19(25)16-26-24(29-23)27-17-8-10-18(11-9-17)31-14-12-30(2)13-15-31/h4-11,16H,3,12-15H2,1-2H3,(H,28,32)(H,26,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this Ligand-Target Pair | |