BDBM92348 1,4-Hybrid, 6
SMILES: CN(C)CCCC(=O)Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4cc(nn4-c4cccc(N)c4)C(C)(C)C)cc3)c2c1
InChI Key: InChIKey=WIVSUJLYDAGUDC-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human)) | BDBM92348 (1,4-Hybrid, 6) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 124 | n/a | n/a | n/a | n/a | n/a | n/a |
Technical University of Dortmund Curated by ChEMBL | Assay Description Inhibition of human wild-type ABL (Ser229 to Gln513)-mediated phosphorylation of biotinylated poly-Glu-Tyr expressed in Escherichia coli BL21(DE3) pr... | J Med Chem 56: 5757-72 (2014) Article DOI: 10.1021/jm4004076 BindingDB Entry DOI: 10.7270/Q2W37XPH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM92348 (1,4-Hybrid, 6) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universität Dortmund | Assay Description Inhibition of UmGSK3 by kinase inhibitors. | ACS Chem Biol 7: 1257-67 (2012) Article DOI: 10.1021/cb300128b BindingDB Entry DOI: 10.7270/Q29S1PNH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycogen Synthase Kinase 3 (GSK3) (Ustilago maydis (Smut fungus)) | BDBM92348 (1,4-Hybrid, 6) | PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universität Dortmund | Assay Description Inhibition of UmGSK3 by kinase inhibitors. | ACS Chem Biol 7: 1257-67 (2012) Article DOI: 10.1021/cb300128b BindingDB Entry DOI: 10.7270/Q29S1PNH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken)) | BDBM92348 (1,4-Hybrid, 6) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Technical University of Dortmund Curated by ChEMBL | Assay Description Inhibition of chicken wild-type cSRC (251 to 533)-mediated phosphorylation of biotinylated poly-Glu-Tyr expressed in Escherichia coli BL21(DE3) prein... | J Med Chem 56: 5757-72 (2014) Article DOI: 10.1021/jm4004076 BindingDB Entry DOI: 10.7270/Q2W37XPH | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |