BDBM50450880 CHEMBL4204566

SMILES: CC(C)n1cnc2c(Nc3cnn(C)c3)nc(nc12)N1C[C@H](F)[C@H](C1)NC(=O)C=C

InChI Key: InChIKey=IRMHXRHXLFRZFM-KBPBESRZSA-N

Data: 1 KI  2 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 = 50450880   

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))	BDBM50450880 (CHEMBL4204566) Show SMILES CC(C)n1cnc2c(Nc3cnn(C)c3)nc(nc12)N1C[C@H](F)[C@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C19H24FN9O/c1-5-15(30)24-14-9-28(8-13(14)20)19-25-17(23-12-6-22-27(4)7-12)16-18(26-19)29(10-21-16)11(2)3/h5-7,10-11,13-14H,1,8-9H2,2-4H3,(H,24,30)(H,23,25,26)/t13-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wuxi AppTec Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin)				J Med Chem 60: 3002-3019 (2017) Article DOI: 10.1021/acs.jmedchem.6b01894 BindingDB Entry DOI: 10.7270/Q25X2CJZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50450880 (CHEMBL4204566) Show SMILES CC(C)n1cnc2c(Nc3cnn(C)c3)nc(nc12)N1C[C@H](F)[C@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C19H24FN9O/c1-5-15(30)24-14-9-28(8-13(14)20)19-25-17(23-12-6-22-27(4)7-12)16-18(26-19)29(10-21-16)11(2)3/h5-7,10-11,13-14H,1,8-9H2,2-4H3,(H,24,30)(H,23,25,26)/t13-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wuxi AppTec Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated wild-type EGFR phosphorylation in human A549 cells preincubated for 2 hrs followed by EGF stimulation for 10 mins by san...				J Med Chem 60: 3002-3019 (2017) Article DOI: 10.1021/acs.jmedchem.6b01894 BindingDB Entry DOI: 10.7270/Q25X2CJZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50450880 (CHEMBL4204566) Show SMILES CC(C)n1cnc2c(Nc3cnn(C)c3)nc(nc12)N1C[C@H](F)[C@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C19H24FN9O/c1-5-15(30)24-14-9-28(8-13(14)20)19-25-17(23-12-6-22-27(4)7-12)16-18(26-19)29(10-21-16)11(2)3/h5-7,10-11,13-14H,1,8-9H2,2-4H3,(H,24,30)(H,23,25,26)/t13-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	713	n/a	n/a	n/a	n/a	n/a	n/a
Wuxi AppTec Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant phosphorylation in human H1975 cells preincubated for 2 hrs followed by EGF stimulation for 10 mins by s...				J Med Chem 60: 3002-3019 (2017) Article DOI: 10.1021/acs.jmedchem.6b01894 BindingDB Entry DOI: 10.7270/Q25X2CJZ
					More data for this Ligand-Target Pair