BDBM50237153 CHEMBL4098444

SMILES: COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1n[nH]c2cc(ccc12)-c1cn(C)c2ccccc12

InChI Key: InChIKey=FOYVLGNZQPYXSS-UHFFFAOYSA-N

Data: 1 KI  1 IC50  1 EC50

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 = 50237153   

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))	BDBM50237153 (CHEMBL4098444) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1n[nH]c2cc(ccc12)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C31H35N7O2/c1-7-30(39)32-25-17-26(29(40-6)18-28(25)37(4)15-14-36(2)3)33-31-22-13-12-20(16-24(22)34-35-31)23-19-38(5)27-11-9-8-10-21(23)27/h7-13,16-19H,1,14-15H2,2-6H3,(H,32,39)(H2,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	236	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TU Dortmund University Curated by ChEMBL					Assay Description Inhibition of cloned isozyme, human carbonic anhydrase II				J Med Chem 60: 2361-2372 (2017) Article DOI: 10.1021/acs.jmedchem.6b01626 BindingDB Entry DOI: 10.7270/Q2FB556R
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50237153 (CHEMBL4098444) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1n[nH]c2cc(ccc12)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C31H35N7O2/c1-7-30(39)32-25-17-26(29(40-6)18-28(25)37(4)15-14-36(2)3)33-31-22-13-12-20(16-24(22)34-35-31)23-19-38(5)27-11-9-8-10-21(23)27/h7-13,16-19H,1,14-15H2,2-6H3,(H,32,39)(H2,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
TU Dortmund University Curated by ChEMBL					Assay Description Inhibition of cloned isozyme, human carbonic anhydrase IV				J Med Chem 60: 2361-2372 (2017) Article DOI: 10.1021/acs.jmedchem.6b01626 BindingDB Entry DOI: 10.7270/Q2FB556R
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50237153 (CHEMBL4098444) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1n[nH]c2cc(ccc12)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C31H35N7O2/c1-7-30(39)32-25-17-26(29(40-6)18-28(25)37(4)15-14-36(2)3)33-31-22-13-12-20(16-24(22)34-35-31)23-19-38(5)27-11-9-8-10-21(23)27/h7-13,16-19H,1,14-15H2,2-6H3,(H,32,39)(H2,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.21E+3	n/a	n/a	n/a	n/a
TU Dortmund University Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR in human A431 cells assessed as reduction in cell viability after 96 hrs by CellTiterGlo assay				J Med Chem 60: 2361-2372 (2017) Article DOI: 10.1021/acs.jmedchem.6b01626 BindingDB Entry DOI: 10.7270/Q2FB556R
					More data for this Ligand-Target Pair