Found 161 hits with Last Name = 'griffin' and Initial = 'jd' 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 |
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
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Time-dependent inhibition of TAB1 fused TAK1 (unknown origin) using FAM-LRRKtide as substrate by mobility shift assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
More data for this Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50237710
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital and Harvard Medical School
| Assay Description Tet inducible human DDR1 over-expressing U2OS was pre-treated by media containing each of the compound for 1 hour and treated by changing the media t... |
ACS Chem Biol 8: 2145-50 (2013)
Article DOI: 10.1021/cb400430t BindingDB Entry DOI: 10.7270/Q2WS8RWD |
More data for this Ligand-Target Pair | |
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)) | 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 |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Competitive inhibition of FLT3 ITD mutant (unknown origin) in presence of ATP |
ACS Med Chem Lett 7: 476-81 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00498 BindingDB Entry DOI: 10.7270/Q2HD7XJD |
More data for this Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50177715
(CHEMBL3815054)Show SMILES CN(C)CCCn1cc(cn1)-c1ccc2C(=O)c3c([nH]c4cc(ccc34)-c3cn[nH]c3)-c2c1 Show InChI InChI=1S/C26H24N6O/c1-31(2)8-3-9-32-15-19(14-29-32)16-4-6-20-22(10-16)25-24(26(20)33)21-7-5-17(11-23(21)30-25)18-12-27-28-13-18/h4-7,10-15,30H,3,8-9H2,1-2H3,(H,27,28) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of FLT3 ITD mutant in human MOLM13 cells assessed as reduction in cell viability a after 3 days by cell titer glo assay |
ACS Med Chem Lett 7: 476-81 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00498 BindingDB Entry DOI: 10.7270/Q2HD7XJD |
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)) | 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 |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(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 DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
More data for this Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM185149
(1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...)Show SMILES CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1 Show InChI InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Competitive inhibition of FLT3 ITD mutant (unknown origin) in presence of ATP |
ACS Med Chem Lett 7: 476-81 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00498 BindingDB Entry DOI: 10.7270/Q2HD7XJD |
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)) | 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 |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
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)) | 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 |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM185149
(1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...)Show SMILES CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1 Show InChI InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Competitive inhibition of FLT3 D835Y mutant (unknown origin) in presence of ATP |
ACS Med Chem Lett 7: 476-81 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00498 BindingDB Entry DOI: 10.7270/Q2HD7XJD |
More data for this Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50177715
(CHEMBL3815054)Show SMILES CN(C)CCCn1cc(cn1)-c1ccc2C(=O)c3c([nH]c4cc(ccc34)-c3cn[nH]c3)-c2c1 Show InChI InChI=1S/C26H24N6O/c1-31(2)8-3-9-32-15-19(14-29-32)16-4-6-20-22(10-16)25-24(26(20)33)21-7-5-17(11-23(21)30-25)18-12-27-28-13-18/h4-7,10-15,30H,3,8-9H2,1-2H3,(H,27,28) | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of FLT3 D835Y mutant (unknown origin) transduced in mouse Ba/F3 cells assessed as reduction in cell viability after 3 days by cell titer g... |
ACS Med Chem Lett 7: 476-81 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00498 BindingDB Entry DOI: 10.7270/Q2HD7XJD |
More data for this Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50177715
(CHEMBL3815054)Show SMILES CN(C)CCCn1cc(cn1)-c1ccc2C(=O)c3c([nH]c4cc(ccc34)-c3cn[nH]c3)-c2c1 Show InChI InChI=1S/C26H24N6O/c1-31(2)8-3-9-32-15-19(14-29-32)16-4-6-20-22(10-16)25-24(26(20)33)21-7-5-17(11-23(21)30-25)18-12-27-28-13-18/h4-7,10-15,30H,3,8-9H2,1-2H3,(H,27,28) | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Competitive inhibition of FLT3 D835Y mutant (unknown origin) in presence of ATP |
ACS Med Chem Lett 7: 476-81 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00498 BindingDB Entry DOI: 10.7270/Q2HD7XJD |
More data for this Ligand-Target Pair | |
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)) | 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 |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
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 |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
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 | |
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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Competitive inhibition of FLT3 D835Y mutant (unknown origin) in presence of ATP |
ACS Med Chem Lett 7: 476-81 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00498 BindingDB Entry DOI: 10.7270/Q2HD7XJD |
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 |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
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) |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50177779
(CHEMBL3814908)Show SMILES CN(C)CCCn1cc(cn1)-c1ccc-2c(c1)C(=O)c1c-2[nH]c2cc(ccc12)-c1cn[nH]c1 Show InChI InChI=1S/C26H24N6O/c1-31(2)8-3-9-32-15-19(14-29-32)16-4-6-20-22(10-16)26(33)24-21-7-5-17(18-12-27-28-13-18)11-23(21)30-25(20)24/h4-7,10-15,30H,3,8-9H2,1-2H3,(H,27,28) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of FLT3 D835Y mutant (unknown origin) transduced in mouse Ba/F3 cells assessed as reduction in cell viability after 3 days by cell titer g... |
ACS Med Chem Lett 7: 476-81 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00498 BindingDB Entry DOI: 10.7270/Q2HD7XJD |
More data for this Ligand-Target Pair | |
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)) | 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 |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
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)) | 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 |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Time-dependent inhibition of TAB1 fused TAK1 (unknown origin) using FAM-LRRKtide as substrate by mobility shift assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
More data for this Ligand-Target Pair | |
Cytoplasmic tyrosine-protein kinase BMX
(Homo sapiens (Human)) | BDBM102620
(BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...)Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(NS(C)(=O)=O)cc1 Show InChI InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
| |
ACS Chem Biol 8: 1423-8 (2013)
Article DOI: 10.1021/cb4000629 BindingDB Entry DOI: 10.7270/Q2V40SVG |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(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 DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(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 DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(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 DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(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 DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(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 DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
More data for this Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50177715
(CHEMBL3815054)Show SMILES CN(C)CCCn1cc(cn1)-c1ccc2C(=O)c3c([nH]c4cc(ccc34)-c3cn[nH]c3)-c2c1 Show InChI InChI=1S/C26H24N6O/c1-31(2)8-3-9-32-15-19(14-29-32)16-4-6-20-22(10-16)25-24(26(20)33)21-7-5-17(11-23(21)30-25)18-12-27-28-13-18/h4-7,10-15,30H,3,8-9H2,1-2H3,(H,27,28) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of FLT3 ITD mutant (unknown origin) transduced in mouse Ba/F3 cells assessed as reduction in cell viability after 3 days by cell titer glo... |
ACS Med Chem Lett 7: 476-81 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00498 BindingDB Entry DOI: 10.7270/Q2HD7XJD |
More data for this Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50177715
(CHEMBL3815054)Show SMILES CN(C)CCCn1cc(cn1)-c1ccc2C(=O)c3c([nH]c4cc(ccc34)-c3cn[nH]c3)-c2c1 Show InChI InChI=1S/C26H24N6O/c1-31(2)8-3-9-32-15-19(14-29-32)16-4-6-20-22(10-16)25-24(26(20)33)21-7-5-17(11-23(21)30-25)18-12-27-28-13-18/h4-7,10-15,30H,3,8-9H2,1-2H3,(H,27,28) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Competitive inhibition of FLT3 ITD mutant (unknown origin) in presence of ATP |
ACS Med Chem Lett 7: 476-81 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00498 BindingDB Entry DOI: 10.7270/Q2HD7XJD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM102620
(BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...)Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(NS(C)(=O)=O)cc1 Show InChI InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
| |
ACS Chem Biol 8: 1423-8 (2013)
Article DOI: 10.1021/cb4000629 BindingDB Entry DOI: 10.7270/Q2V40SVG |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(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 DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
More data for this Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50177715
(CHEMBL3815054)Show SMILES CN(C)CCCn1cc(cn1)-c1ccc2C(=O)c3c([nH]c4cc(ccc34)-c3cn[nH]c3)-c2c1 Show InChI InChI=1S/C26H24N6O/c1-31(2)8-3-9-32-15-19(14-29-32)16-4-6-20-22(10-16)25-24(26(20)33)21-7-5-17(11-23(21)30-25)18-12-27-28-13-18/h4-7,10-15,30H,3,8-9H2,1-2H3,(H,27,28) | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of FLT3 ITD mutant in human MOLM14 cells assessed as reduction in cell viability after 3 days by cell titer glo assay |
ACS Med Chem Lett 7: 476-81 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00498 BindingDB Entry DOI: 10.7270/Q2HD7XJD |
More data for this Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50177721
(CHEMBL3814657)Show SMILES CN(C)CCCn1cc(cn1)-c1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)-c2c1 Show InChI InChI=1S/C24H21N5O/c1-28(2)8-3-9-29-14-17(13-26-29)16-5-7-18-20(11-16)23-22(24(18)30)19-6-4-15(12-25)10-21(19)27-23/h4-7,10-11,13-14,27H,3,8-9H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of FLT3 ITD mutant (unknown origin) transduced in mouse Ba/F3 cells assessed as reduction in cell viability after 3 days by cell titer glo... |
ACS Med Chem Lett 7: 476-81 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00498 BindingDB Entry DOI: 10.7270/Q2HD7XJD |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(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 DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
More data for this Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50177779
(CHEMBL3814908)Show SMILES CN(C)CCCn1cc(cn1)-c1ccc-2c(c1)C(=O)c1c-2[nH]c2cc(ccc12)-c1cn[nH]c1 Show InChI InChI=1S/C26H24N6O/c1-31(2)8-3-9-32-15-19(14-29-32)16-4-6-20-22(10-16)26(33)24-21-7-5-17(18-12-27-28-13-18)11-23(21)30-25(20)24/h4-7,10-15,30H,3,8-9H2,1-2H3,(H,27,28) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of FLT3 ITD mutant (unknown origin) transduced in mouse Ba/F3 cells assessed as reduction in cell viability after 3 days by cell titer glo... |
ACS Med Chem Lett 7: 476-81 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00498 BindingDB Entry DOI: 10.7270/Q2HD7XJD |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209656
(CHEMBL3883823)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)CCl)n2)cc1 Show InChI InChI=1S/C23H24Cl2N6O2/c1-30-10-12-31(13-11-30)17-8-6-16(7-9-17)27-23-26-15-18(25)22(29-23)33-20-5-3-2-4-19(20)28-21(32)14-24/h2-9,15H,10-14H2,1H3,(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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
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 | |