Found 313 hits with Last Name = 'rainka' and Initial = 'mp' 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 |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50460767
(CHEMBL4228240)Show SMILES CCN(CCO)Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 Show InChI InChI=1S/C18H22N8OS/c1-3-25(4-5-27)11-14-6-16(28-24-14)23-17-18-19-9-15(13-7-20-21-8-13)26(18)10-12(2)22-17/h6-10,27H,3-5,11H2,1-2H3,(H,20,21)(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of LCK (unknown origin) |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50381998
(CHEMBL2022711)Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4F)c3)sn2)C1 Show InChI InChI=1S/C27H29FN10OS/c1-17-4-3-7-36(12-17)15-20-8-25(40-35-20)34-26-27-30-11-23(38(27)13-18(2)32-26)19-9-31-37(14-19)16-24(39)33-22-5-6-29-10-21(22)28/h5-6,8-11,13-14,17H,3-4,7,12,15-16H2,1-2H3,(H,32,34)(H,29,33,39) | 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 | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay |
Bioorg Med Chem Lett 22: 3544-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.051 BindingDB Entry DOI: 10.7270/Q2X34ZGD |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50335179
(6-Methyl-N-[3-(1-piperidinylmethyl)-5-isothiazolyl...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C19H22N8S/c1-13-11-27-16(14-8-21-22-9-14)10-20-19(27)18(23-13)24-17-7-15(25-28-17)12-26-5-3-2-4-6-26/h7-11H,2-6,12H2,1H3,(H,21,22)(H,23,24) | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 |
Bioorg Med Chem Lett 22: 3544-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.051 BindingDB Entry DOI: 10.7270/Q2X34ZGD |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460766
(CHEMBL4226232)Show SMILES Cc1cn2c(cnc2c(Nc2cc(Cc3cccnc3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C19H16N8S/c1-12-11-27-16(14-8-22-23-9-14)10-21-19(27)18(24-12)25-17-6-15(26-28-17)5-13-3-2-4-20-7-13/h2-4,6-11H,5H2,1H3,(H,22,23)(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460770
(CHEMBL4225181)Show SMILES Cc1cn2c(cnc2c(Nc2cc(Cc3cccc(F)n3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C19H15FN8S/c1-11-10-28-15(12-7-22-23-8-12)9-21-19(28)18(24-11)26-17-6-14(27-29-17)5-13-3-2-4-16(20)25-13/h2-4,6-10H,5H2,1H3,(H,22,23)(H,24,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460774
(CHEMBL4226494)Show SMILES Cc1cn2c(cnc2c(Nc2cc(Cc3ncccc3C)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C20H18N8S/c1-12-4-3-5-21-16(12)6-15-7-18(29-27-15)26-19-20-22-10-17(14-8-23-24-9-14)28(20)11-13(2)25-19/h3-5,7-11H,6H2,1-2H3,(H,23,24)(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460777
(CHEMBL4227818)Show SMILES Cc1cn2c(cnc2c(Nc2cc(Cc3cccc(CO)n3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C20H18N8OS/c1-12-10-28-17(13-7-22-23-8-13)9-21-20(28)19(24-12)26-18-6-16(27-30-18)5-14-3-2-4-15(11-29)25-14/h2-4,6-10,29H,5,11H2,1H3,(H,22,23)(H,24,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460767
(CHEMBL4228240)Show SMILES CCN(CCO)Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 Show InChI InChI=1S/C18H22N8OS/c1-3-25(4-5-27)11-14-6-16(28-24-14)23-17-18-19-9-15(13-7-20-21-8-13)26(18)10-12(2)22-17/h6-10,27H,3-5,11H2,1-2H3,(H,20,21)(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460769
(CHEMBL4228586)Show SMILES Cc1cn2c(cnc2c(Nc2cc(Cn3cccc3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H16N8S/c1-12-10-26-15(13-7-20-21-8-13)9-19-18(26)17(22-12)23-16-6-14(24-27-16)11-25-4-2-3-5-25/h2-10H,11H2,1H3,(H,20,21)(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460779
(CHEMBL4228135)Show SMILES Cc1cn2c(cnc2c(Nc2cc(Cn3ccnc3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C17H15N9S/c1-11-8-26-14(12-5-20-21-6-12)7-19-17(26)16(22-11)23-15-4-13(24-27-15)9-25-3-2-18-10-25/h2-8,10H,9H2,1H3,(H,20,21)(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460780
(CHEMBL4227844)Show SMILES Cc1cn2c(cnc2c(Nc2cc(Cn3cccc(C)c3=O)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C20H18N8OS/c1-12-4-3-5-27(20(12)29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h3-10H,11H2,1-2H3,(H,22,23)(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460776
(CHEMBL4227538)Show SMILES Cc1cn2c(cnc2c(Nc2cc(Cc3nccs3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C17H14N8S2/c1-10-9-25-13(11-6-20-21-7-11)8-19-17(25)16(22-10)23-15-5-12(24-27-15)4-14-18-2-3-26-14/h2-3,5-9H,4H2,1H3,(H,20,21)(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460773
(CHEMBL4227082)Show SMILES Cc1cn2c(cnc2c(Nc2cc(Cc3ccccn3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C19H16N8S/c1-12-11-27-16(13-8-22-23-9-13)10-21-19(27)18(24-12)25-17-7-15(26-28-17)6-14-4-2-3-5-20-14/h2-5,7-11H,6H2,1H3,(H,22,23)(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460784
(CHEMBL4227029)Show SMILES Cc1cn2c(cnc2c(Nc2cc(ns2)C(NC2CCCC2)c2ccccn2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C24H25N9S/c1-15-14-33-20(16-11-27-28-12-16)13-26-24(33)23(29-15)31-21-10-19(32-34-21)22(18-8-4-5-9-25-18)30-17-6-2-3-7-17/h4-5,8-14,17,22,30H,2-3,6-7H2,1H3,(H,27,28)(H,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460778
(CHEMBL4226184)Show SMILES Cc1cn2c(cnc2c(Nc2cc(ns2)C(N2CCC(F)CC2)c2ccccn2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C24H24FN9S/c1-15-14-34-20(16-11-28-29-12-16)13-27-24(34)23(30-15)31-21-10-19(32-35-21)22(18-4-2-3-7-26-18)33-8-5-17(25)6-9-33/h2-4,7,10-14,17,22H,5-6,8-9H2,1H3,(H,28,29)(H,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460786
(CHEMBL4227557)Show SMILES Cc1cn2c(cnc2c(Nc2cc(Cc3cccc(CN4CCCCC4)n3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C25H27N9S/c1-17-15-34-22(18-12-27-28-13-18)14-26-25(34)24(29-17)31-23-11-21(32-35-23)10-19-6-5-7-20(30-19)16-33-8-3-2-4-9-33/h5-7,11-15H,2-4,8-10,16H2,1H3,(H,27,28)(H,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460771
(CHEMBL4226704)Show SMILES Cc1cn2c(cnc2c(Nc2cc(Cc3cccc(n3)C(=O)N3CCCCC3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C25H25N9OS/c1-16-15-34-21(17-12-27-28-13-17)14-26-24(34)23(29-16)31-22-11-19(32-36-22)10-18-6-5-7-20(30-18)25(35)33-8-3-2-4-9-33/h5-7,11-15H,2-4,8-10H2,1H3,(H,27,28)(H,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460788
(CHEMBL4226969)Show SMILES COc1cccc(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cn[nH]c3)sn2)n1 Show InChI InChI=1S/C20H18N8OS/c1-12-11-28-16(13-8-22-23-9-13)10-21-20(28)19(24-12)26-18-7-15(27-30-18)6-14-4-3-5-17(25-14)29-2/h3-5,7-11H,6H2,1-2H3,(H,22,23)(H,24,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460787
(CHEMBL4225979)Show SMILES Cc1cn2c(cnc2c(Nc2cc(Cc3ncccc3F)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C19H15FN8S/c1-11-10-28-16(12-7-23-24-8-12)9-22-19(28)18(25-11)26-17-6-13(27-29-17)5-15-14(20)3-2-4-21-15/h2-4,6-10H,5H2,1H3,(H,23,24)(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460789
(CHEMBL4228308)Show SMILES Cc1cccc(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cn[nH]c3)sn2)n1 Show InChI InChI=1S/C20H18N8S/c1-12-4-3-5-15(24-12)6-16-7-18(29-27-16)26-19-20-21-10-17(14-8-22-23-9-14)28(20)11-13(2)25-19/h3-5,7-11H,6H2,1-2H3,(H,22,23)(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460775
(CHEMBL4226657)Show SMILES Cc1ccnc(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cn[nH]c3)sn2)c1 Show InChI InChI=1S/C20H18N8S/c1-12-3-4-21-15(5-12)6-16-7-18(29-27-16)26-19-20-22-10-17(14-8-23-24-9-14)28(20)11-13(2)25-19/h3-5,7-11H,6H2,1-2H3,(H,23,24)(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460772
(CHEMBL4225923)Show SMILES Cc1cn2c(cnc2c(Nc2cc(ns2)C(NC(C)(C)C)c2ccccn2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C23H25N9S/c1-14-13-32-18(15-10-26-27-11-15)12-25-22(32)21(28-14)29-19-9-17(31-33-19)20(30-23(2,3)4)16-7-5-6-8-24-16/h5-13,20,30H,1-4H3,(H,26,27)(H,28,29) | 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 | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460782
(CHEMBL4225385)Show SMILES Cc1cn2c(cnc2c(Nc2cc(Cc3cnccn3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H15N9S/c1-11-10-27-15(12-6-22-23-7-12)9-21-18(27)17(24-11)25-16-5-13(26-28-16)4-14-8-19-2-3-20-14/h2-3,5-10H,4H2,1H3,(H,22,23)(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460781
(CHEMBL4227349)Show SMILES Cc1cn2c(cnc2c(Nc2cc(Cc3ccncc3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C19H16N8S/c1-12-11-27-16(14-8-22-23-9-14)10-21-19(27)18(24-12)25-17-7-15(26-28-17)6-13-2-4-20-5-3-13/h2-5,7-11H,6H2,1H3,(H,22,23)(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460792
(CHEMBL4228412)Show SMILES Cc1cn2c(cnc2c(Nc2cc(Cn3cccn3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C17H15N9S/c1-11-9-26-14(12-6-19-20-7-12)8-18-17(26)16(22-11)23-15-5-13(24-27-15)10-25-4-2-3-21-25/h2-9H,10H2,1H3,(H,19,20)(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460783
(CHEMBL4229135)Show SMILES Cc1cn2c(cnc2c(Nc2cc(Cc3ncccn3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H15N9S/c1-11-10-27-14(12-7-22-23-8-12)9-21-18(27)17(24-11)25-16-6-13(26-28-16)5-15-19-3-2-4-20-15/h2-4,6-10H,5H2,1H3,(H,22,23)(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460785
(CHEMBL4226438)Show SMILES Cc1cn2c(cnc2c(Nc2cc(ns2)C(N2CCCC2)c2ccccn2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C23H23N9S/c1-15-14-32-19(16-11-26-27-12-16)13-25-23(32)22(28-15)29-20-10-18(30-33-20)21(31-8-4-5-9-31)17-6-2-3-7-24-17/h2-3,6-7,10-14,21H,4-5,8-9H2,1H3,(H,26,27)(H,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460768
(CHEMBL4226036)Show SMILES Cc1cn2c(cnc2c(Nc2cc(Cc3ccc(F)cn3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C19H15FN8S/c1-11-10-28-16(12-6-23-24-7-12)9-22-19(28)18(25-11)26-17-5-15(27-29-17)4-14-3-2-13(20)8-21-14/h2-3,5-10H,4H2,1H3,(H,23,24)(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460791
(CHEMBL4227284)Show SMILES Cc1cn2c(cnc2c(Nc2cc(ns2)C(N2CCCCC2)c2ccccn2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C24H25N9S/c1-16-15-33-20(17-12-27-28-13-17)14-26-24(33)23(29-16)30-21-11-19(31-34-21)22(18-7-3-4-8-25-18)32-9-5-2-6-10-32/h3-4,7-8,11-15,22H,2,5-6,9-10H2,1H3,(H,27,28)(H,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50460790
(CHEMBL4225708)Show SMILES Cc1ccc(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cn[nH]c3)sn2)nc1 Show InChI InChI=1S/C20H18N8S/c1-12-3-4-15(21-7-12)5-16-6-18(29-27-16)26-19-20-22-10-17(14-8-23-24-9-14)28(20)11-13(2)25-19/h3-4,6-11H,5H2,1-2H3,(H,23,24)(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50460767
(CHEMBL4228240)Show SMILES CCN(CCO)Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 Show InChI InChI=1S/C18H22N8OS/c1-3-25(4-5-27)11-14-6-16(28-24-14)23-17-18-19-9-15(13-7-20-21-8-13)26(18)10-12(2)22-17/h6-10,27H,3-5,11H2,1-2H3,(H,20,21)(H,22,23) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of FLT3 (unknown origin) |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50460772
(CHEMBL4225923)Show SMILES Cc1cn2c(cnc2c(Nc2cc(ns2)C(NC(C)(C)C)c2ccccn2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C23H25N9S/c1-14-13-32-18(15-10-26-27-11-15)12-25-22(32)21(28-14)29-19-9-17(31-33-19)20(30-23(2,3)4)16-7-5-6-8-24-16/h5-13,20,30H,1-4H3,(H,26,27)(H,28,29) | PDB
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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of FLT3 (unknown origin) |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50460772
(CHEMBL4225923)Show SMILES Cc1cn2c(cnc2c(Nc2cc(ns2)C(NC(C)(C)C)c2ccccn2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C23H25N9S/c1-14-13-32-18(15-10-26-27-11-15)12-25-22(32)21(28-14)29-19-9-17(31-33-19)20(30-23(2,3)4)16-7-5-6-8-24-16/h5-13,20,30H,1-4H3,(H,26,27)(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of CHK1 (unknown origin) |
Bioorg Med Chem Lett 28: 1397-1403 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50329198
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of IRK4 |
Bioorg Med Chem Lett 20: 6739-43 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.140 BindingDB Entry DOI: 10.7270/Q2K074HX |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50329197
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r| Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of ROCK2 |
Bioorg Med Chem Lett 20: 6739-43 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.140 BindingDB Entry DOI: 10.7270/Q2K074HX |
More data for this Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50329197
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r| Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1 | 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 | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PKCalpha |
Bioorg Med Chem Lett 20: 6739-43 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.140 BindingDB Entry DOI: 10.7270/Q2K074HX |
More data for this Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50329197
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r| Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1 | PDB
UniProtKB/SwissProt
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of AKT1 |
Bioorg Med Chem Lett 20: 6739-43 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.140 BindingDB Entry DOI: 10.7270/Q2K074HX |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type IV
(Homo sapiens (Human)) | BDBM50329197
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r| Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1 | 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 | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of Camk4 |
Bioorg Med Chem Lett 20: 6739-43 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.140 BindingDB Entry DOI: 10.7270/Q2K074HX |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50329197
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r| Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1 | 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 | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CDK2 |
Bioorg Med Chem Lett 20: 6739-43 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.140 BindingDB Entry DOI: 10.7270/Q2K074HX |
More data for this Ligand-Target Pair | |
Casein kinase I isoform delta
(Homo sapiens (Human)) | BDBM50329197
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r| Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CSNK1d |
Bioorg Med Chem Lett 20: 6739-43 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.140 BindingDB Entry DOI: 10.7270/Q2K074HX |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50329197
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r| Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1 | PDB MMDB
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of EGFR |
Bioorg Med Chem Lett 20: 6739-43 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.140 BindingDB Entry DOI: 10.7270/Q2K074HX |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50329197
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r| Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1 | 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 | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of ERK2 |
Bioorg Med Chem Lett 20: 6739-43 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.140 BindingDB Entry DOI: 10.7270/Q2K074HX |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50329197
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r| Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1 | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of IKK-beta |
Bioorg Med Chem Lett 20: 6739-43 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.140 BindingDB Entry DOI: 10.7270/Q2K074HX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50329197
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r| Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1 | PDB
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of JAK2 |
Bioorg Med Chem Lett 20: 6739-43 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.140 BindingDB Entry DOI: 10.7270/Q2K074HX |
More data for this Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50329197
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r| Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1 | PDB MMDB
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of cMET |
Bioorg Med Chem Lett 20: 6739-43 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.140 BindingDB Entry DOI: 10.7270/Q2K074HX |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50329197
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r| Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1 | PDB
NCI pathway KEGG
UniProtKB/SwissProt
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PLK3 |
Bioorg Med Chem Lett 20: 6739-43 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.140 BindingDB Entry DOI: 10.7270/Q2K074HX |
More data for this Ligand-Target Pair | |
Testis-specific serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50329197
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r| Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1 | KEGG
UniProtKB/SwissProt
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of TSSK2 |
Bioorg Med Chem Lett 20: 6739-43 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.140 BindingDB Entry DOI: 10.7270/Q2K074HX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50335179
(6-Methyl-N-[3-(1-piperidinylmethyl)-5-isothiazolyl...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C19H22N8S/c1-13-11-27-16(14-8-21-22-9-14)10-20-19(27)18(23-13)24-17-7-15(25-28-17)12-26-5-3-2-4-6-26/h7-11H,2-6,12H2,1H3,(H,21,22)(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Inhibition of LCK |
Bioorg Med Chem Lett 22: 3544-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.051 BindingDB Entry DOI: 10.7270/Q2X34ZGD |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50381997
(CHEMBL2022379)Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4)c3)sn2)C1 Show InChI InChI=1S/C27H30N10OS/c1-18-4-3-9-35(13-18)16-22-10-25(39-34-22)33-26-27-29-12-23(37(27)14-19(2)31-26)20-11-30-36(15-20)17-24(38)32-21-5-7-28-8-6-21/h5-8,10-12,14-15,18H,3-4,9,13,16-17H2,1-2H3,(H,31,33)(H,28,32,38) | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay |
Bioorg Med Chem Lett 22: 3544-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.051 BindingDB Entry DOI: 10.7270/Q2X34ZGD |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50329198
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CHK1 |
Bioorg Med Chem Lett 20: 6739-43 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.140 BindingDB Entry DOI: 10.7270/Q2K074HX |
More data for this Ligand-Target Pair | |