BDBM504414 US11040984, Compound 25

SMILES: CCN1CC2(C1)CN(C(=O)O2)c1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC

InChI Key: InChIKey=AUUWQQUVNXOOMD-UHFFFAOYSA-N

Data: 2 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 504414   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
EGFR (del 746-750) (Homo sapiens (Human))	BDBM504414 (US11040984, Compound 25) Show SMILES CCN1CC2(C1)CN(C(=O)O2)c1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC Show InChI InChI=1S/C22H21ClFN5O3/c1-3-28-9-22(10-28)11-29(21(30)32-22)17-7-13-16(8-18(17)31-2)25-12-26-20(13)27-15-6-4-5-14(23)19(15)24/h4-8,12H,3,9-11H2,1-2H3,(H,25,26,27)	PDB GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0690	n/a	n/a	n/a	n/a	n/a	n/a
MEDSHINE DISCOVERY INC. US Patent					Assay Description Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...				US Patent US11040984 (2021)
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM504414 (US11040984, Compound 25) Show SMILES CCN1CC2(C1)CN(C(=O)O2)c1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC Show InChI InChI=1S/C22H21ClFN5O3/c1-3-28-9-22(10-28)11-29(21(30)32-22)17-7-13-16(8-18(17)31-2)25-12-26-20(13)27-15-6-4-5-14(23)19(15)24/h4-8,12H,3,9-11H2,1-2H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0220	n/a	n/a	n/a	n/a	n/a	n/a
MEDSHINE DISCOVERY INC. US Patent					Assay Description Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...				US Patent US11040984 (2021)
					More data for this Ligand-Target Pair