BDBM213569 US9278981, 161

SMILES: OCCCNc1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=OCKSTFJUKGSVAS-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 213569   

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))	BDBM213569 (US9278981, 161) Show SMILES OCCCNc1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C20H18F3N5O3/c21-20(22,23)31-16-4-2-15(3-5-16)28-19(30)13-8-17(14-9-24-12-25-10-14)18(27-11-13)26-6-1-7-29/h2-5,8-12,29H,1,6-7H2,(H,26,27)(H,28,30)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213569 (US9278981, 161) Show SMILES OCCCNc1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C20H18F3N5O3/c21-20(22,23)31-16-4-2-15(3-5-16)28-19(30)13-8-17(14-9-24-12-25-10-14)18(27-11-13)26-6-1-7-29/h2-5,8-12,29H,1,6-7H2,(H,26,27)(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM213569 (US9278981, 161) Show SMILES OCCCNc1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C20H18F3N5O3/c21-20(22,23)31-16-4-2-15(3-5-16)28-19(30)13-8-17(14-9-24-12-25-10-14)18(27-11-13)26-6-1-7-29/h2-5,8-12,29H,1,6-7H2,(H,26,27)(H,28,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	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