BDBM50524280 CHEMBL4446630

SMILES: COc1cc(Nc2ncnc3ccc(cc23)C(F)(F)F)cc(OC)c1OC

InChI Key: InChIKey=OGYXEJMRZBYWMY-UHFFFAOYSA-N

Data: 1 IC50  2 Kd

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 5 hits for monomerid = 50524280   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50524280 (CHEMBL4446630) Show SMILES COc1cc(Nc2ncnc3ccc(cc23)C(F)(F)F)cc(OC)c1OC Show InChI InChI=1S/C18H16F3N3O3/c1-25-14-7-11(8-15(26-2)16(14)27-3)24-17-12-6-10(18(19,20)21)4-5-13(12)22-9-23-17/h4-9H,1-3H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Binding affinity to wild-type human partial length EGFR (R669 to V1011 residues) expressed in bacterial expression system by Kinomescan method				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase GAK (Homo sapiens (Human))	BDBM50524280 (CHEMBL4446630) Show SMILES COc1cc(Nc2ncnc3ccc(cc23)C(F)(F)F)cc(OC)c1OC Show InChI InChI=1S/C18H16F3N3O3/c1-25-14-7-11(8-15(26-2)16(14)27-3)24-17-12-6-10(18(19,20)21)4-5-13(12)22-9-23-17/h4-9H,1-3H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Binding affinity to wild-type human partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by Kinomescan method				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase GAK (Homo sapiens (Human))	BDBM50524280 (CHEMBL4446630) Show SMILES COc1cc(Nc2ncnc3ccc(cc23)C(F)(F)F)cc(OC)c1OC Show InChI InChI=1S/C18H16F3N3O3/c1-25-14-7-11(8-15(26-2)16(14)27-3)24-17-12-6-10(18(19,20)21)4-5-13(12)22-9-23-17/h4-9H,1-3H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase GAK (Homo sapiens (Human))	BDBM50524280 (CHEMBL4446630) Show SMILES COc1cc(Nc2ncnc3ccc(cc23)C(F)(F)F)cc(OC)c1OC Show InChI InChI=1S/C18H16F3N3O3/c1-25-14-7-11(8-15(26-2)16(14)27-3)24-17-12-6-10(18(19,20)21)4-5-13(12)22-9-23-17/h4-9H,1-3H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50524280 (CHEMBL4446630) Show SMILES COc1cc(Nc2ncnc3ccc(cc23)C(F)(F)F)cc(OC)c1OC Show InChI InChI=1S/C18H16F3N3O3/c1-25-14-7-11(8-15(26-2)16(14)27-3)24-17-12-6-10(18(19,20)21)4-5-13(12)22-9-23-17/h4-9H,1-3H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350
					More data for this Ligand-Target Pair