BDBM50505839 CHEMBL4525935

SMILES: Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1CC(C)(C)O

InChI Key: InChIKey=RBNXRNXSQJWDFU-UHFFFAOYSA-N

Data: 3 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 8 hits for monomerid = 50505839   

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 erbB1 (Mus musculus)	BDBM50505839 (CHEMBL4525935 | US11174245, # I-001) Show SMILES Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1CC(C)(C)O Show InChI InChI=1S/C21H22N6O2/c1-21(2,29)13-27-18-7-5-4-6-16(18)24-20(27)25-19(28)14-8-9-22-17(10-14)15-11-23-26(3)12-15/h4-12,29H,13H2,1-3H3,(H,24,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Inhibition of wild type EGFR in mouse BAF3 cells assessed as reduction in cell proliferation incubated for 72 hrs by Celltiter-Glo luminescent cell v...				J Med Chem 62: 10272-10293 (2019) Article DOI: 10.1021/acs.jmedchem.9b01169
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50505839 (CHEMBL4525935 | US11174245, # I-001) Show SMILES Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1CC(C)(C)O Show InChI InChI=1S/C21H22N6O2/c1-21(2,29)13-27-18-7-5-4-6-16(18)24-20(27)25-19(28)14-8-9-22-17(10-14)15-11-23-26(3)12-15/h4-12,29H,13H2,1-3H3,(H,24,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	519	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Inhibition of GST-fusion tagged EGFR L858R/T790M/C797S triple mutant (unknown origin) (696 to 1022 residues) expressed in insect cells assessed as de...				J Med Chem 62: 10272-10293 (2019) Article DOI: 10.1021/acs.jmedchem.9b01169
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50505839 (CHEMBL4525935 | US11174245, # I-001) Show SMILES Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1CC(C)(C)O Show InChI InChI=1S/C21H22N6O2/c1-21(2,29)13-27-18-7-5-4-6-16(18)24-20(27)25-19(28)14-8-9-22-17(10-14)15-11-23-26(3)12-15/h4-12,29H,13H2,1-3H3,(H,24,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co KG Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged wild type EGFR expressed in baculovirus expression system assessed as decrease in phosphorylation of ULigh...				J Med Chem 62: 10272-10293 (2019) Article DOI: 10.1021/acs.jmedchem.9b01169
					More data for this Ligand-Target Pair
EGFR (aa 695-1022) (Homo sapiens (Human))	BDBM50505839 (CHEMBL4525935 | US11174245, # I-001) Show SMILES Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1CC(C)(C)O Show InChI InChI=1S/C21H22N6O2/c1-21(2,29)13-27-18-7-5-4-6-16(18)24-20(27)25-19(28)14-8-9-22-17(10-14)15-11-23-26(3)12-15/h4-12,29H,13H2,1-3H3,(H,24,25,28)	GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
EGFR (aa 695-1022, L858R, T790M, C797S) (Homo sapiens (Human))	BDBM50505839 (CHEMBL4525935 | US11174245, # I-001) Show SMILES Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1CC(C)(C)O Show InChI InChI=1S/C21H22N6O2/c1-21(2,29)13-27-18-7-5-4-6-16(18)24-20(27)25-19(28)14-8-9-22-17(10-14)15-11-23-26(3)12-15/h4-12,29H,13H2,1-3H3,(H,24,25,28)	GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	11.4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
EGFR (aa 695-1022, L858R, T790M, C797S) (Homo sapiens (Human))	BDBM50505839 (CHEMBL4525935 | US11174245, # I-001) Show SMILES Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1CC(C)(C)O Show InChI InChI=1S/C21H22N6O2/c1-21(2,29)13-27-18-7-5-4-6-16(18)24-20(27)25-19(28)14-8-9-22-17(10-14)15-11-23-26(3)12-15/h4-12,29H,13H2,1-3H3,(H,24,25,28)	GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	524	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
EGFR (aa 695-1022) (Homo sapiens (Human))	BDBM50505839 (CHEMBL4525935 | US11174245, # I-001) Show SMILES Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1CC(C)(C)O Show InChI InChI=1S/C21H22N6O2/c1-21(2,29)13-27-18-7-5-4-6-16(18)24-20(27)25-19(28)14-8-9-22-17(10-14)15-11-23-26(3)12-15/h4-12,29H,13H2,1-3H3,(H,24,25,28)	GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
EGFR (aa 895-745, aa 751-1022, T790M, C797S) (Homo sapiens (Human))	BDBM50505839 (CHEMBL4525935 | US11174245, # I-001) Show SMILES Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1CC(C)(C)O Show InChI InChI=1S/C21H22N6O2/c1-21(2,29)13-27-18-7-5-4-6-16(18)24-20(27)25-19(28)14-8-9-22-17(10-14)15-11-23-26(3)12-15/h4-12,29H,13H2,1-3H3,(H,24,25,28)	GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	71.7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair