BDBM50450890 CHEMBL4206604

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

InChI Key: InChIKey=ACTNABQUCQIOKX-FQEVSTJZSA-N

Data: 1 KI

PDB links: 2 PDB IDs match this monomer.

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 1 hit for monomerid = 50450890   

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))	BDBM50450890 (CHEMBL4206604) Show SMILES CC(C)n1cnc2c(Nc3ccc(cc3)N3CCN(C)CC3)nc(N[C@H]3CCN(C3)C(C)=O)nc12 |r| Show InChI InChI=1S/C25H35N9O/c1-17(2)34-16-26-22-23(27-19-5-7-21(8-6-19)32-13-11-31(4)12-14-32)29-25(30-24(22)34)28-20-9-10-33(15-20)18(3)35/h5-8,16-17,20H,9-15H2,1-4H3,(H2,27,28,29,30)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	161	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				3D Structure (crystal)