BDBM50450873 CHEMBL4206312

SMILES: CC(C)n1cnc2c(Nc3ccc(cc3)N3CCN(C)CC3)nc(N[C@@H]3CCN(C3)C(=O)C=C)nc12

InChI Key: InChIKey=GSLCJCBURXKYPH-HXUWFJFHSA-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 = 50450873   

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))	BDBM50450873 (CHEMBL4206312) Show SMILES CC(C)n1cnc2c(Nc3ccc(cc3)N3CCN(C)CC3)nc(N[C@@H]3CCN(C3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C26H35N9O/c1-5-22(36)34-11-10-20(16-34)29-26-30-24(23-25(31-26)35(17-27-23)18(2)3)28-19-6-8-21(9-7-19)33-14-12-32(4)13-15-33/h5-9,17-18,20H,1,10-16H2,2-4H3,(H2,28,29,30,31)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	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))	BDBM50450873 (CHEMBL4206312) Show SMILES CC(C)n1cnc2c(Nc3ccc(cc3)N3CCN(C)CC3)nc(N[C@@H]3CCN(C3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C26H35N9O/c1-5-22(36)34-11-10-20(16-34)29-26-30-24(23-25(31-26)35(17-27-23)18(2)3)28-19-6-8-21(9-7-19)33-14-12-32(4)13-15-33/h5-9,17-18,20H,1,10-16H2,2-4H3,(H2,28,29,30,31)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	387	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))	BDBM50450873 (CHEMBL4206312) Show SMILES CC(C)n1cnc2c(Nc3ccc(cc3)N3CCN(C)CC3)nc(N[C@@H]3CCN(C3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C26H35N9O/c1-5-22(36)34-11-10-20(16-34)29-26-30-24(23-25(31-26)35(17-27-23)18(2)3)28-19-6-8-21(9-7-19)33-14-12-32(4)13-15-33/h5-9,17-18,20H,1,10-16H2,2-4H3,(H2,28,29,30,31)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	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