BDBM213443 US9278981, 35
SMILES: O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChI Key: InChIKey=LARFZNXVNANWFD-MRXNPFEDSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosine-protein kinase ABL1 (Homo sapiens (Human)) | BDBM213443 (US9278981, 35) | PDB GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB US Patent | n/a | n/a | <3 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Novartis AG US Patent | Assay Description For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 uL of the compound pre-... | US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Tyrosine-protein kinase ABL1 (Homo sapiens (Human)) | BDBM213443 (US9278981, 35) | PDB GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB US Patent | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Novartis AG US Patent | Assay Description The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition... | US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM213443 (US9278981, 35) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Displacement of [3H]dofetilide from human ERG by high throughput assay | J Med Chem 61: 8120-8135 (2018) Article DOI: 10.1021/acs.jmedchem.8b01040 BindingDB Entry DOI: 10.7270/Q2FX7D3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase ABL1 (Homo sapiens (Human)) | BDBM213443 (US9278981, 35) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB US Patent | n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG US Patent | Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel... | US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Tyrosine-protein kinase ABL1 (Homo sapiens (Human)) | BDBM213443 (US9278981, 35) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of ABL1 (64 to 515 residues)(unknown origin) expressed in Escherichia coli using FITC-Ahx-EAIYAAPFAKKK-NH2 peptide as substrate after 60 m... | J Med Chem 61: 8120-8135 (2018) Article DOI: 10.1021/acs.jmedchem.8b01040 BindingDB Entry DOI: 10.7270/Q2FX7D3X | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Tyrosine-protein kinase ABL1 (Homo sapiens (Human)) | BDBM213443 (US9278981, 35) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB US Patent | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG US Patent | Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel... | US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |