BDBM50099968 CHEMBL31653::N*4*-(2-Benzyl-1H-benzoimidazol-5-yl)-pyrido[3,4-d]pyrimidine-4,6-diamine

SMILES: Nc1cc2c(Nc3ccc4nc(Cc5ccccc5)[nH]c4c3)ncnc2cn1

InChI Key: InChIKey=HRXDZJIGRRYXTC-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 = 50099968   

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 protein-tyrosine kinase erbB-2 (Rattus norvegicus)	BDBM50099968 (CHEMBL31653 | N*4*-(2-Benzyl-1H-benzoimidazol-5-yl...) Show SMILES Nc1cc2c(Nc3ccc4nc(Cc5ccccc5)[nH]c4c3)ncnc2cn1 Show InChI InChI=1S/C21H17N7/c22-19-10-15-18(11-23-19)24-12-25-21(15)26-14-6-7-16-17(9-14)28-20(27-16)8-13-4-2-1-3-5-13/h1-7,9-12H,8H2,(H2,22,23)(H,27,28)(H,24,25,26)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Research Biomet. Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of rat Receptor protein-tyrosine kinase erbB2				Bioorg Med Chem Lett 11: 1401-5 (2001) BindingDB Entry DOI: 10.7270/Q2W37VKB
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50099968 (CHEMBL31653 | N*4*-(2-Benzyl-1H-benzoimidazol-5-yl...) Show SMILES Nc1cc2c(Nc3ccc4nc(Cc5ccccc5)[nH]c4c3)ncnc2cn1 Show InChI InChI=1S/C21H17N7/c22-19-10-15-18(11-23-19)24-12-25-21(15)26-14-6-7-16-17(9-14)28-20(27-16)8-13-4-2-1-3-5-13/h1-7,9-12H,8H2,(H2,22,23)(H,27,28)(H,24,25,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research Biomet. Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of c-erbB-2 overexpressing HB4a cell proliferation				Bioorg Med Chem Lett 11: 1401-5 (2001) BindingDB Entry DOI: 10.7270/Q2W37VKB
					More data for this Ligand-Target Pair