BDBM139989 US8901140, 2::US9358227, 2

SMILES: CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\[C@@H]1CCCN1

InChI Key: InChIKey=BXYUWIKGVQXGEA-ZUURVNMSSA-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 3 hits for monomerid = 139989   

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))	BDBM139989 (US8901140, 2 | US9358227, 2) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\[C@@H]1CCCN1 |r| Show InChI InChI=1S/C31H29ClN6O3/c1-2-40-29-16-26-24(15-27(29)38-30(39)11-9-21-7-5-13-34-21)31(20(17-33)18-36-26)37-22-8-10-28(25(32)14-22)41-19-23-6-3-4-12-35-23/h3-4,6,8-12,14-16,18,21,34H,2,5,7,13,19H2,1H3,(H,36,37)(H,38,39)/b11-9+/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inh...				US Patent US8901140 (2014) BindingDB Entry DOI: 10.7270/Q2VX0F76
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM139989 (US8901140, 2 | US9358227, 2) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\[C@@H]1CCCN1 |r| Show InChI InChI=1S/C31H29ClN6O3/c1-2-40-29-16-26-24(15-27(29)38-30(39)11-9-21-7-5-13-34-21)31(20(17-33)18-36-26)37-22-8-10-28(25(32)14-22)41-19-23-6-3-4-12-35-23/h3-4,6,8-12,14-16,18,21,34H,2,5,7,13,19H2,1H3,(H,36,37)(H,38,39)/b11-9+/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inh...				US Patent US9358227 (2016) BindingDB Entry DOI: 10.7270/Q2RJ4HB5
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM139989 (US8901140, 2 | US9358227, 2) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\[C@@H]1CCCN1 |r| Show InChI InChI=1S/C31H29ClN6O3/c1-2-40-29-16-26-24(15-27(29)38-30(39)11-9-21-7-5-13-34-21)31(20(17-33)18-36-26)37-22-8-10-28(25(32)14-22)41-19-23-6-3-4-12-35-23/h3-4,6,8-12,14-16,18,21,34H,2,5,7,13,19H2,1H3,(H,36,37)(H,38,39)/b11-9+/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description The following in vitro assay is to determine the activity of the tested compounds for inhibiting the proliferation of cancer cells, which has high ex...				US Patent US9358227 (2016) BindingDB Entry DOI: 10.7270/Q2RJ4HB5
					More data for this Ligand-Target Pair