BDBM50524282 CHEMBL4467033

SMILES: COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OC

InChI Key: InChIKey=NYSAXBWLXKKMCP-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 3 hits for monomerid = 50524282   

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))	BDBM50524282 (CHEMBL4467033) Show SMILES COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OC Show InChI InChI=1S/C23H19ClFN3O3/c1-29-21-10-17-19(11-22(21)30-2)26-13-27-23(17)28-16-6-7-20(18(24)9-16)31-12-14-4-3-5-15(25)8-14/h3-11,13H,12H2,1-2H3,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.30	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50524282 (CHEMBL4467033) Show SMILES COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OC Show InChI InChI=1S/C23H19ClFN3O3/c1-29-21-10-17-19(11-22(21)30-2)26-13-27-23(17)28-16-6-7-20(18(24)9-16)31-12-14-4-3-5-15(25)8-14/h3-11,13H,12H2,1-2H3,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<15	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
Serine/threonine-protein kinase GAK (Homo sapiens (Human))	BDBM50524282 (CHEMBL4467033) Show SMILES COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OC Show InChI InChI=1S/C23H19ClFN3O3/c1-29-21-10-17-19(11-22(21)30-2)26-13-27-23(17)28-16-6-7-20(18(24)9-16)31-12-14-4-3-5-15(25)8-14/h3-11,13H,12H2,1-2H3,(H,26,27,28)	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	5.00E+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 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