Found 78 hits with Last Name = 'hurley' and Initial = 'lh' 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 14
(Homo sapiens (Human)) | BDBM50323919
(4-(4-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ur...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)cc2)ccn1 Show InChI InChI=1S/C28H30N6O3/c1-18-6-10-20(11-7-18)34-25(17-24(33-34)28(2,3)4)32-27(36)31-19-8-12-21(13-9-19)37-22-14-15-30-23(16-22)26(35)29-5/h6-17H,1-5H3,(H,29,35)(H2,31,32,36) | PDB MMDB
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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay |
Bioorg Med Chem 18: 5738-48 (2010)
Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50323917
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(2-mor...)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)ccc1Cl Show InChI InChI=1S/C24H23ClF3N3O3/c25-20-6-5-16(15-19(20)24(26,27)28)29-23(32)30-21-7-8-22(18-4-2-1-3-17(18)21)34-14-11-31-9-12-33-13-10-31/h1-8,15H,9-14H2,(H2,29,30,32) | PDB MMDB
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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay |
Bioorg Med Chem 18: 5738-48 (2010)
Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay |
Bioorg Med Chem 18: 5738-48 (2010)
Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50323918
(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-me...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1)C(C)(C)C Show InChI InChI=1S/C31H32N8O/c1-20-8-12-24(13-9-20)39-28(18-27(38-39)31(3,4)5)37-30(40)34-23-11-10-21(2)26(17-23)36-29-33-16-14-25(35-29)22-7-6-15-32-19-22/h6-19H,1-5H3,(H,33,35,36)(H2,34,37,40) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay |
Bioorg Med Chem 18: 5738-48 (2010)
Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM13530
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 10.8 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay |
Bioorg Med Chem 18: 5738-48 (2010)
Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50308764
(4-(3,4-Difluorophenyl)-N-(4-methyl-3-(3-methyl-4-o...)Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccc(F)c(F)c2)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1 Show InChI InChI=1S/C27H19F5N6O2/c1-13-3-5-16(11-21(13)34-15-6-8-20-17(10-15)25(40)38(2)12-33-20)35-24(39)23-22(36-26(37-23)27(30,31)32)14-4-7-18(28)19(29)9-14/h3-12,34H,1-2H3,(H,35,39)(H,36,37) | PDB MMDB
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 |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay |
Bioorg Med Chem 18: 292-304 (2010)
Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50308757
(5-(4-Fluorophenyl)-N-(4-methyl-3-(3-methyl-4-oxo-3...)Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccc(F)cc2)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1 Show InChI InChI=1S/C27H20F4N6O2/c1-14-3-8-18(12-21(14)33-17-9-10-20-19(11-17)25(39)37(2)13-32-20)34-24(38)23-22(15-4-6-16(28)7-5-15)35-26(36-23)27(29,30)31/h3-13,33H,1-2H3,(H,34,38)(H,35,36) | PDB MMDB
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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay |
Bioorg Med Chem 18: 292-304 (2010)
Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50323922
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-methyl...)Show SMILES Cc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C24H18ClF3N6O/c1-14-4-5-17(32-23(35)31-16-6-7-19(25)18(11-16)24(26,27)28)12-21(14)34-22-30-10-8-20(33-22)15-3-2-9-29-13-15/h2-13H,1H3,(H,30,33,34)(H2,31,32,35) | PDB MMDB
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 | 18.4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay |
Bioorg Med Chem 18: 5738-48 (2010)
Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of p38alpha |
Bioorg Med Chem 18: 292-304 (2010)
Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50308758
(5-(3-Chloro-4-fluorophenyl)-N-(4-methyl-3-(3-methy...)Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccc(F)c(Cl)c2)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1 Show InChI InChI=1S/C27H19ClF4N6O2/c1-13-3-5-16(11-21(13)34-15-6-8-20-17(10-15)25(40)38(2)12-33-20)35-24(39)23-22(36-26(37-23)27(30,31)32)14-4-7-19(29)18(28)9-14/h3-12,34H,1-2H3,(H,35,39)(H,36,37) | PDB MMDB
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 | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay |
Bioorg Med Chem 18: 292-304 (2010)
Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4 |
More data for this Ligand-Target Pair | |
DNA polymerase I, thermostable
(Thermus aquaticus) | BDBM50123623
((R)-13-(3-aminopyrrolidin-1-yl)-12-fluoro-10-oxo-1...)Show SMILES N[C@@H]1CCN(C1)c1c(F)cc2c3c1oc1c4ccc5ccccc5c4ccc1n3cc(C(O)=O)c2=O Show InChI InChI=1S/C28H20FN3O4/c29-21-11-19-23-27(24(21)31-10-9-15(30)12-31)36-26-18-6-5-14-3-1-2-4-16(14)17(18)7-8-22(26)32(23)13-20(25(19)33)28(34)35/h1-8,11,13,15H,9-10,12,30H2,(H,34,35)/t15-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of Taq DNA polymerase |
J Med Chem 46: 571-83 (2003)
Article DOI: 10.1021/jm0203377 BindingDB Entry DOI: 10.7270/Q2MS3S4K |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50308759
(5-(4-Fluoro-3-methylphenyl)-N-(4-methyl-3-(3-methy...)Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccc(F)c(C)c2)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1 Show InChI InChI=1S/C28H22F4N6O2/c1-14-4-6-18(12-22(14)34-17-7-9-21-19(11-17)26(40)38(3)13-33-21)35-25(39)24-23(36-27(37-24)28(30,31)32)16-5-8-20(29)15(2)10-16/h4-13,34H,1-3H3,(H,35,39)(H,36,37) | PDB MMDB
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 | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay |
Bioorg Med Chem 18: 292-304 (2010)
Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50323919
(4-(4-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ur...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)cc2)ccn1 Show InChI InChI=1S/C28H30N6O3/c1-18-6-10-20(11-7-18)34-25(17-24(33-34)28(2,3)4)32-27(36)31-19-8-12-21(13-9-19)37-22-14-15-30-23(16-22)26(35)29-5/h6-17H,1-5H3,(H,29,35)(H2,31,32,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 62.6 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay |
Bioorg Med Chem 18: 5738-48 (2010)
Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 76.2 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full-length GST-tagged B-Raf by radiometric kinase assay |
Bioorg Med Chem 18: 5738-48 (2010)
Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 83.4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full-length GST-tagged B-Raf by radiometric kinase assay |
Bioorg Med Chem 18: 5738-48 (2010)
Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay |
Bioorg Med Chem 18: 292-304 (2010)
Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 84.8 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay |
Bioorg Med Chem 18: 5738-48 (2010)
Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50323921
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(2-mor...)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)cc2)ccc1Cl Show InChI InChI=1S/C20H21ClF3N3O3/c21-18-6-3-15(13-17(18)20(22,23)24)26-19(28)25-14-1-4-16(5-2-14)30-12-9-27-7-10-29-11-8-27/h1-6,13H,7-12H2,(H2,25,26,28) | PDB MMDB
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 | 92.3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full-length GST-tagged B-Raf by radiometric kinase assay |
Bioorg Med Chem 18: 5738-48 (2010)
Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50308761
(CHEMBL591673 | N-(4-Methyl-3-(3-methyl-4-oxo-3,4-d...)Show SMILES COc1cc(cc(OC)c1OC)-c1nc([nH]c1C(=O)Nc1ccc(C)c(Nc2ccc3ncn(C)c(=O)c3c2)c1)C(F)(F)F Show InChI InChI=1S/C30H27F3N6O5/c1-15-6-7-18(13-21(15)35-17-8-9-20-19(12-17)28(41)39(2)14-34-20)36-27(40)25-24(37-29(38-25)30(31,32)33)16-10-22(42-3)26(44-5)23(11-16)43-4/h6-14,35H,1-5H3,(H,36,40)(H,37,38) | PDB MMDB
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 | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay |
Bioorg Med Chem 18: 292-304 (2010)
Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50308765
(2-tert-Butyl-N-(4-methyl-3-(3-methyl-4-oxo-3,4-dih...)Show SMILES Cc1ccc(cc1)-c1nc([nH]c1C(=O)Nc1ccc(C)c(Nc2ccc3ncn(C)c(=O)c3c2)c1)C(C)(C)C Show InChI InChI=1S/C31H32N6O2/c1-18-7-10-20(11-8-18)26-27(36-30(35-26)31(3,4)5)28(38)34-22-12-9-19(2)25(16-22)33-21-13-14-24-23(15-21)29(39)37(6)17-32-24/h7-17,33H,1-6H3,(H,34,38)(H,35,36) | PDB MMDB
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 | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay |
Bioorg Med Chem 18: 292-304 (2010)
Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50308760
(5-(3-Fluoro-4-methylphenyl)-N-(4-methyl-3-(3-methy...)Show SMILES Cc1ccc(cc1F)-c1nc([nH]c1C(=O)Nc1ccc(C)c(Nc2ccc3ncn(C)c(=O)c3c2)c1)C(F)(F)F Show InChI InChI=1S/C28H22F4N6O2/c1-14-4-6-16(10-20(14)29)23-24(37-27(36-23)28(30,31)32)25(39)35-18-7-5-15(2)22(12-18)34-17-8-9-21-19(11-17)26(40)38(3)13-33-21/h4-13,34H,1-3H3,(H,35,39)(H,36,37) | PDB MMDB
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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay |
Bioorg Med Chem 18: 292-304 (2010)
Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50308762
(CHEMBL591526 | N-(4-Methyl-3-(3-methyl-4-oxo-3,4-d...)Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2cccc(c2)C(F)(F)F)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1 Show InChI InChI=1S/C28H20F6N6O2/c1-14-6-7-18(12-21(14)36-17-8-9-20-19(11-17)25(42)40(2)13-35-20)37-24(41)23-22(38-26(39-23)28(32,33)34)15-4-3-5-16(10-15)27(29,30)31/h3-13,36H,1-2H3,(H,37,41)(H,38,39) | PDB MMDB
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 | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay |
Bioorg Med Chem 18: 292-304 (2010)
Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50323921
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(2-mor...)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)cc2)ccc1Cl Show InChI InChI=1S/C20H21ClF3N3O3/c21-18-6-3-15(13-17(18)20(22,23)24)26-19(28)25-14-1-4-16(5-2-14)30-12-9-27-7-10-29-11-8-27/h1-6,13H,7-12H2,(H2,25,26,28) | PDB MMDB
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 | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay |
Bioorg Med Chem 18: 5738-48 (2010)
Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50308766
(CHEMBL605404 | N-(4-Methyl-3-(3-methyl-4-oxo-3,4-d...)Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccccc2)-c2ccccc2)cc1Nc1ccc2ncn(C)c(=O)c2c1 Show InChI InChI=1S/C32H26N6O2/c1-20-13-14-24(18-27(20)34-23-15-16-26-25(17-23)32(40)38(2)19-33-26)35-31(39)29-28(21-9-5-3-6-10-21)36-30(37-29)22-11-7-4-8-12-22/h3-19,34H,1-2H3,(H,35,39)(H,36,37) | PDB MMDB
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 | 122 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay |
Bioorg Med Chem 18: 292-304 (2010)
Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50323922
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-methyl...)Show SMILES Cc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C24H18ClF3N6O/c1-14-4-5-17(32-23(35)31-16-6-7-19(25)18(11-16)24(26,27)28)12-21(14)34-22-30-10-8-20(33-22)15-3-2-9-29-13-15/h2-13H,1H3,(H,30,33,34)(H2,31,32,35) | PDB MMDB
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 | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full-length GST-tagged B-Raf by radiometric kinase assay |
Bioorg Med Chem 18: 5738-48 (2010)
Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50323918
(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-me...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1)C(C)(C)C Show InChI InChI=1S/C31H32N8O/c1-20-8-12-24(13-9-20)39-28(18-27(38-39)31(3,4)5)37-30(40)34-23-11-10-21(2)26(17-23)36-29-33-16-14-25(35-29)22-7-6-15-32-19-22/h6-19H,1-5H3,(H,33,35,36)(H2,34,37,40) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 189 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay |
Bioorg Med Chem 18: 5738-48 (2010)
Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 226 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay |
Bioorg Med Chem 18: 5738-48 (2010)
Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50323919
(4-(4-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ur...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)cc2)ccn1 Show InChI InChI=1S/C28H30N6O3/c1-18-6-10-20(11-7-18)34-25(17-24(33-34)28(2,3)4)32-27(36)31-19-8-12-21(13-9-19)37-22-14-15-30-23(16-22)26(35)29-5/h6-17H,1-5H3,(H,29,35)(H2,31,32,36) | PDB MMDB
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 | 237 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full-length GST-tagged B-Raf by radiometric kinase assay |
Bioorg Med Chem 18: 5738-48 (2010)
Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C |
More data for this Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471898
(CHEMBL135778)Show SMILES N[C@@H]1CCN(C1)c1c(F)cc2c3c1oc1c4ccccc4ccc1n3cc(C(O)=O)c2=O |r| Show InChI InChI=1S/C24H18FN3O4/c25-17-9-15-19-23(20(17)27-8-7-13(26)10-27)32-22-14-4-2-1-3-12(14)5-6-18(22)28(19)11-16(21(15)29)24(30)31/h1-6,9,11,13H,7-8,10,26H2,(H,30,31)/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Texas at Austin
Curated by ChEMBL
| Assay Description Inhibition of topoisomerase II as conversion of catenated to decatenated KDNA |
J Med Chem 41: 4273-8 (1998)
Article DOI: 10.1021/jm980265c BindingDB Entry DOI: 10.7270/Q25X2CPR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50323921
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(2-mor...)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)cc2)ccc1Cl Show InChI InChI=1S/C20H21ClF3N3O3/c21-18-6-3-15(13-17(18)20(22,23)24)26-19(28)25-14-1-4-16(5-2-14)30-12-9-27-7-10-29-11-8-27/h1-6,13H,7-12H2,(H2,25,26,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 244 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay |
Bioorg Med Chem 18: 5738-48 (2010)
Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50308755
(CHEMBL589415 | N-(4-Methyl-3-(3-methyl-4-oxo-3,4-d...)Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccccc2)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1 Show InChI InChI=1S/C27H21F3N6O2/c1-15-8-9-18(13-21(15)32-17-10-11-20-19(12-17)25(38)36(2)14-31-20)33-24(37)23-22(16-6-4-3-5-7-16)34-26(35-23)27(28,29)30/h3-14,32H,1-2H3,(H,33,37)(H,34,35) | PDB MMDB
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 | 405 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay |
Bioorg Med Chem 18: 292-304 (2010)
Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50323918
(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-me...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1)C(C)(C)C Show InChI InChI=1S/C31H32N8O/c1-20-8-12-24(13-9-20)39-28(18-27(38-39)31(3,4)5)37-30(40)34-23-11-10-21(2)26(17-23)36-29-33-16-14-25(35-29)22-7-6-15-32-19-22/h6-19H,1-5H3,(H,33,35,36)(H2,34,37,40) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 414 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full-length GST-tagged B-Raf by radiometric kinase assay |
Bioorg Med Chem 18: 5738-48 (2010)
Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C |
More data for this Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471897
(CHEMBL137098)Show SMILES N[C@@H]1CCN(C1)c1c(F)cc2c3c1oc1cc4ccccc4cc1n3cc(C(O)=O)c2=O Show InChI InChI=1S/C24H18FN3O4/c25-17-9-15-20-23(21(17)27-6-5-14(26)10-27)32-19-8-13-4-2-1-3-12(13)7-18(19)28(20)11-16(22(15)29)24(30)31/h1-4,7-9,11,14H,5-6,10,26H2,(H,30,31)/t14-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Texas at Austin
Curated by ChEMBL
| Assay Description Inhibition of topoisomerase II as conversion of catenated to decatenated KDNA |
J Med Chem 41: 4273-8 (1998)
Article DOI: 10.1021/jm980265c BindingDB Entry DOI: 10.7270/Q25X2CPR |
More data for this Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471907
(CHEMBL337526)Show SMILES N[C@H]1CCN(C1)c1c(F)cc2c3c1oc1cc4ccccc4cc1n3cc(C(O)=O)c2=O Show InChI InChI=1S/C24H18FN3O4/c25-17-9-15-20-23(21(17)27-6-5-14(26)10-27)32-19-8-13-4-2-1-3-12(13)7-18(19)28(20)11-16(22(15)29)24(30)31/h1-4,7-9,11,14H,5-6,10,26H2,(H,30,31)/t14-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Texas at Austin
Curated by ChEMBL
| Assay Description Inhibition of topoisomerase II as conversion of catenated to decatenated KDNA |
J Med Chem 41: 4273-8 (1998)
Article DOI: 10.1021/jm980265c BindingDB Entry DOI: 10.7270/Q25X2CPR |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50308763
(CHEMBL591661 | N-(4-Methyl-3-(3-methyl-4-oxo-3,4-d...)Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2-c2ccccc2C(F)(F)F)C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1 Show InChI InChI=1S/C28H20F6N6O2/c1-14-7-8-16(12-21(14)36-15-9-10-20-18(11-15)25(42)40(2)13-35-20)37-24(41)23-22(38-26(39-23)28(32,33)34)17-5-3-4-6-19(17)27(29,30)31/h3-13,36H,1-2H3,(H,37,41)(H,38,39) | PDB MMDB
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 | 468 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay |
Bioorg Med Chem 18: 292-304 (2010)
Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4 |
More data for this Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471900
(CHEMBL335700)Show SMILES N[C@H]1CCN(C1)c1c(F)cc2c3c1oc1c4ccccc4ccc1n3cc(C(O)=O)c2=O |r| Show InChI InChI=1S/C24H18FN3O4/c25-17-9-15-19-23(20(17)27-8-7-13(26)10-27)32-22-14-4-2-1-3-12(14)5-6-18(22)28(19)11-16(21(15)29)24(30)31/h1-6,9,11,13H,7-8,10,26H2,(H,30,31)/t13-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Texas at Austin
Curated by ChEMBL
| Assay Description Inhibition of topoisomerase II as conversion of catenated to decatenated KDNA |
J Med Chem 41: 4273-8 (1998)
Article DOI: 10.1021/jm980265c BindingDB Entry DOI: 10.7270/Q25X2CPR |
More data for this Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471895
(A-62176 | CHEMBL101299)Show SMILES N[C@H]1CCN(C1)c1c(F)cc2c3c1oc1ccccc1n3cc(C(O)=O)c2=O |r| Show InChI InChI=1S/C20H16FN3O4/c21-13-7-11-16-19(17(13)23-6-5-10(22)8-23)28-15-4-2-1-3-14(15)24(16)9-12(18(11)25)20(26)27/h1-4,7,9-10H,5-6,8,22H2,(H,26,27)/t10-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Texas at Austin
Curated by ChEMBL
| Assay Description Inhibition of topoisomerase II as conversion of catenated to decatenated KDNA |
J Med Chem 41: 4273-8 (1998)
Article DOI: 10.1021/jm980265c BindingDB Entry DOI: 10.7270/Q25X2CPR |
More data for this Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471905
(CHEMBL334497)Show SMILES NC1CCN(C1)c1c(F)cc2c3c1oc1c4ccccc4ccc1n3cc(C(O)=O)c2=O Show InChI InChI=1S/C24H18FN3O4/c25-17-9-15-19-23(20(17)27-8-7-13(26)10-27)32-22-14-4-2-1-3-12(14)5-6-18(22)28(19)11-16(21(15)29)24(30)31/h1-6,9,11,13H,7-8,10,26H2,(H,30,31) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Texas at Austin
Curated by ChEMBL
| Assay Description Inhibition of topoisomerase II as conversion of catenated to decatenated KDNA |
J Med Chem 41: 4273-8 (1998)
Article DOI: 10.1021/jm980265c BindingDB Entry DOI: 10.7270/Q25X2CPR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Mus musculus) | BDBM50323920
(CHEMBL1213975 | N-methyl-4-(4-(3-(4-((4-methylpipe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2)ccn1 Show InChI InChI=1S/C26H30N6O3/c1-27-25(33)24-17-23(11-12-28-24)35-22-9-7-21(8-10-22)30-26(34)29-20-5-3-19(4-6-20)18-32-15-13-31(2)14-16-32/h3-12,17H,13-16,18H2,1-2H3,(H,27,33)(H2,29,30,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 572 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay |
Bioorg Med Chem 18: 5738-48 (2010)
Article DOI: 10.1016/j.bmc.2010.05.063 BindingDB Entry DOI: 10.7270/Q2HQ403C |
More data for this Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471906
(CHEMBL337205)Show SMILES OC(=O)c1cn2c3cc4ccccc4cc3oc3c(N4CCNCC4)c(F)cc(c23)c1=O Show InChI InChI=1S/C24H18FN3O4/c25-17-11-15-20-23(21(17)27-7-5-26-6-8-27)32-19-10-14-4-2-1-3-13(14)9-18(19)28(20)12-16(22(15)29)24(30)31/h1-4,9-12,26H,5-8H2,(H,30,31) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Texas at Austin
Curated by ChEMBL
| Assay Description Inhibition of topoisomerase II as conversion of catenated to decatenated KDNA |
J Med Chem 41: 4273-8 (1998)
Article DOI: 10.1021/jm980265c BindingDB Entry DOI: 10.7270/Q25X2CPR |
More data for this Ligand-Target Pair | |
DNA polymerase I, thermostable
(Thermus aquaticus) | BDBM50123624
((S)-13-(3-aminopyrrolidin-1-yl)-12-fluoro-10-oxo-1...)Show SMILES N[C@H]1CCN(C1)c1c(F)cc2c3c1oc1c4ccc5ccccc5c4ccc1n3cc(C(O)=O)c2=O Show InChI InChI=1S/C28H20FN3O4/c29-21-11-19-23-27(24(21)31-10-9-15(30)12-31)36-26-18-6-5-14-3-1-2-4-16(14)17(18)7-8-22(26)32(23)13-20(25(19)33)28(34)35/h1-8,11,13,15H,9-10,12,30H2,(H,34,35)/t15-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of Taq DNA polymerase |
J Med Chem 46: 571-83 (2003)
Article DOI: 10.1021/jm0203377 BindingDB Entry DOI: 10.7270/Q2MS3S4K |
More data for this Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471903
(CHEMBL335387)Show SMILES N[C@H]1CCN(C1)c1c(F)cc2c3c1oc1ccc4ccccc4c1n3cc(C(O)=O)c2=O Show InChI InChI=1S/C24H18FN3O4/c25-17-9-15-20-23(21(17)27-8-7-13(26)10-27)32-18-6-5-12-3-1-2-4-14(12)19(18)28(20)11-16(22(15)29)24(30)31/h1-6,9,11,13H,7-8,10,26H2,(H,30,31)/t13-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Texas at Austin
Curated by ChEMBL
| Assay Description Inhibition of topoisomerase II as conversion of catenated to decatenated KDNA |
J Med Chem 41: 4273-8 (1998)
Article DOI: 10.1021/jm980265c BindingDB Entry DOI: 10.7270/Q25X2CPR |
More data for this Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471896
(CHEMBL423534)Show SMILES NC1CCN(C1)c1c(F)cc2c3c1oc1cc4ccccc4cc1n3cc(C(O)=O)c2=O Show InChI InChI=1S/C24H18FN3O4/c25-17-9-15-20-23(21(17)27-6-5-14(26)10-27)32-19-8-13-4-2-1-3-12(13)7-18(19)28(20)11-16(22(15)29)24(30)31/h1-4,7-9,11,14H,5-6,10,26H2,(H,30,31) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Texas at Austin
Curated by ChEMBL
| Assay Description Inhibition of topoisomerase II as conversion of catenated to decatenated KDNA |
J Med Chem 41: 4273-8 (1998)
Article DOI: 10.1021/jm980265c BindingDB Entry DOI: 10.7270/Q25X2CPR |
More data for this Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471902
(CHEMBL335643)Show SMILES NC1CCN(C1)c1c(F)cc2c3c1oc1ccc4ccccc4c1n3cc(C(O)=O)c2=O Show InChI InChI=1S/C24H18FN3O4/c25-17-9-15-20-23(21(17)27-8-7-13(26)10-27)32-18-6-5-12-3-1-2-4-14(12)19(18)28(20)11-16(22(15)29)24(30)31/h1-6,9,11,13H,7-8,10,26H2,(H,30,31) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Texas at Austin
Curated by ChEMBL
| Assay Description Inhibition of topoisomerase II as conversion of catenated to decatenated KDNA |
J Med Chem 41: 4273-8 (1998)
Article DOI: 10.1021/jm980265c BindingDB Entry DOI: 10.7270/Q25X2CPR |
More data for this Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471901
(CHEMBL422988)Show SMILES N[C@@H]1CCN(C1)c1c(F)cc2c3c1oc1ccc4ccccc4c1n3cc(C(O)=O)c2=O Show InChI InChI=1S/C24H18FN3O4/c25-17-9-15-20-23(21(17)27-8-7-13(26)10-27)32-18-6-5-12-3-1-2-4-14(12)19(18)28(20)11-16(22(15)29)24(30)31/h1-6,9,11,13H,7-8,10,26H2,(H,30,31)/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Texas at Austin
Curated by ChEMBL
| Assay Description Inhibition of topoisomerase II as conversion of catenated to decatenated KDNA |
J Med Chem 41: 4273-8 (1998)
Article DOI: 10.1021/jm980265c BindingDB Entry DOI: 10.7270/Q25X2CPR |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50308756
(CHEMBL605198 | N-(4-Methyl-3-(3-methyl-4-oxo-3,4-d...)Show SMILES Cc1ccc(cc1)-c1nc([nH]c1C(=O)Nc1ccc(C)c(Nc2ccc3ncn(C)c(=O)c3c2)c1)C(F)(F)F Show InChI InChI=1S/C28H23F3N6O2/c1-15-4-7-17(8-5-15)23-24(36-27(35-23)28(29,30)31)25(38)34-19-9-6-16(2)22(13-19)33-18-10-11-21-20(12-18)26(39)37(3)14-32-21/h4-14,33H,1-3H3,(H,34,38)(H,35,36) | PDB MMDB
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 | 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay |
Bioorg Med Chem 18: 292-304 (2010)
Article DOI: 10.1016/j.bmc.2009.10.055 BindingDB Entry DOI: 10.7270/Q2SQ90H4 |
More data for this Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471899
(CHEMBL137263)Show SMILES OC(=O)c1cn2c3ccc4ccccc4c3oc3c(N4CCNCC4)c(F)cc(c23)c1=O Show InChI InChI=1S/C24H18FN3O4/c25-17-11-15-19-23(20(17)27-9-7-26-8-10-27)32-22-14-4-2-1-3-13(14)5-6-18(22)28(19)12-16(21(15)29)24(30)31/h1-6,11-12,26H,7-10H2,(H,30,31) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Texas at Austin
Curated by ChEMBL
| Assay Description Inhibition of topoisomerase II as conversion of catenated to decatenated KDNA |
J Med Chem 41: 4273-8 (1998)
Article DOI: 10.1021/jm980265c BindingDB Entry DOI: 10.7270/Q25X2CPR |
More data for this Ligand-Target Pair | |
DNA polymerase I, thermostable
(Thermus aquaticus) | BDBM50123624
((S)-13-(3-aminopyrrolidin-1-yl)-12-fluoro-10-oxo-1...)Show SMILES N[C@H]1CCN(C1)c1c(F)cc2c3c1oc1c4ccc5ccccc5c4ccc1n3cc(C(O)=O)c2=O Show InChI InChI=1S/C28H20FN3O4/c29-21-11-19-23-27(24(21)31-10-9-15(30)12-31)36-26-18-6-5-14-3-1-2-4-16(14)17(18)7-8-22(26)32(23)13-20(25(19)33)28(34)35/h1-8,11,13,15H,9-10,12,30H2,(H,34,35)/t15-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of Taq DNA polymerase by TRAP assay |
J Med Chem 46: 571-83 (2003)
Article DOI: 10.1021/jm0203377 BindingDB Entry DOI: 10.7270/Q2MS3S4K |
More data for this Ligand-Target Pair | |
DNA polymerase I, thermostable
(Thermus aquaticus) | BDBM50123622
(6-[3-amino-(3R)-tetrahydro-1H-1-pyrrolyl]-5-fluoro...)Show SMILES N[C@@H]1CCN(C1)c1c(F)cc2c3c1oc1cc4c(ccc5ccccc45)cc1n3cc(C(O)=O)c2=O Show InChI InChI=1S/C28H20FN3O4/c29-21-10-19-24-27(25(21)31-8-7-16(30)12-31)36-23-11-18-15(6-5-14-3-1-2-4-17(14)18)9-22(23)32(24)13-20(26(19)33)28(34)35/h1-6,9-11,13,16H,7-8,12,30H2,(H,34,35)/t16-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of Taq DNA polymerase |
J Med Chem 46: 571-83 (2003)
Article DOI: 10.1021/jm0203377 BindingDB Entry DOI: 10.7270/Q2MS3S4K |
More data for this Ligand-Target Pair | |
Telomerase reverse transcriptase
(Homo sapiens (Human)) | BDBM50107617
(5-(1-Methyl-3-pyridyl)-10,15,20-tri(1-methyl-3-qui...)Show SMILES C[n+]1cccc(c1)-c1c2ccc(n2)c(-c2c[n+](C)c3ccccc3c2)c2ccc([nH]2)c(-c2c[n+](C)c3ccccc3c2)c2ccc(n2)c(-c2c[n+](C)c3ccccc3c2)c2ccc1[nH]2 Show InChI InChI=1S/C56H44N8/c1-61-27-11-15-38(31-61)53-42-19-21-44(57-42)54(39-28-35-12-5-8-16-50(35)62(2)32-39)46-23-25-48(59-46)56(41-30-37-14-7-10-18-52(37)64(4)34-41)49-26-24-47(60-49)55(45-22-20-43(53)58-45)40-29-36-13-6-9-17-51(36)63(3)33-40/h5-34,57,60H,1-4H3/q+4/b53-42-,53-43-,54-44-,54-46-,55-45-,55-47-,56-48-,56-49- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas at Austin
Curated by ChEMBL
| Assay Description Apparent telomerase inhibition by mixed mechanism |
J Med Chem 44: 4509-23 (2001)
BindingDB Entry DOI: 10.7270/Q25Q4WVW |
More data for this Ligand-Target Pair | |