BDBM50191672 CHEMBL3963723

SMILES: CCC(=O)Nc1cc2c(Nc3ccc4[nH]ccc4c3)ncnc2cc1OC

InChI Key: InChIKey=UVEBHXRRTIKHPI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50191672   

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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50191672 (CHEMBL3963723) Show SMILES CCC(=O)Nc1cc2c(Nc3ccc4[nH]ccc4c3)ncnc2cc1OC Show InChI InChI=1S/C20H19N5O2/c1-3-19(26)25-17-9-14-16(10-18(17)27-2)22-11-23-20(14)24-13-4-5-15-12(8-13)6-7-21-15/h4-11,21H,3H2,1-2H3,(H,25,26)(H,22,23,24)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB2 (unknown origin) (Ile-675 to Val-1256 residues) expressed in baculovirus infected Sf9 insect cells assess...				J Med Chem 59: 8103-24 (2016) BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50191672 (CHEMBL3963723) Show SMILES CCC(=O)Nc1cc2c(Nc3ccc4[nH]ccc4c3)ncnc2cc1OC Show InChI InChI=1S/C20H19N5O2/c1-3-19(26)25-17-9-14-16(10-18(17)27-2)22-11-23-20(14)24-13-4-5-15-12(8-13)6-7-21-15/h4-11,21H,3H2,1-2H3,(H,25,26)(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB1 (unknown origin) (Met-668 to Ala-1211 residues) expressed in baculovirus infected Sf9 insect cells assess...				J Med Chem 59: 8103-24 (2016) BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair