BDBM50215748 CHEMBL245376::N-((5-(2-(3-(4-(trifluoromethyl)-1H-imidazol-2-yl)-1H-pyrazol-4-yl)vinyl)pyridin-3-yl)methyl)ethanamine

SMILES: CCNCc1cncc(C=Cc2c[nH]nc2-c2ncc([nH]2)C(F)(F)F)c1

InChI Key: InChIKey=KQMUZJKDXSIZDM-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 3 hits for monomerid = 50215748   

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
Aurora kinase A (Homo sapiens (Human))	BDBM50215748 (CHEMBL245376 | N-((5-(2-(3-(4-(trifluoromethyl)-1H...) Show SMILES CCNCc1cncc(C=Cc2c[nH]nc2-c2ncc([nH]2)C(F)(F)F)c1 |w:9.8| Show InChI InChI=1S/C17H17F3N6/c1-2-21-7-12-5-11(6-22-8-12)3-4-13-9-24-26-15(13)16-23-10-14(25-16)17(18,19)20/h3-6,8-10,21H,2,7H2,1H3,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of aurora-A				Bioorg Med Chem Lett 17: 4557-61 (2007) Article DOI: 10.1016/j.bmcl.2007.05.092 BindingDB Entry DOI: 10.7270/Q2DB81JD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50215748 (CHEMBL245376 | N-((5-(2-(3-(4-(trifluoromethyl)-1H...) Show SMILES CCNCc1cncc(C=Cc2c[nH]nc2-c2ncc([nH]2)C(F)(F)F)c1 |w:9.8| Show InChI InChI=1S/C17H17F3N6/c1-2-21-7-12-5-11(6-22-8-12)3-4-13-9-24-26-15(13)16-23-10-14(25-16)17(18,19)20/h3-6,8-10,21H,2,7H2,1H3,(H,23,25)(H,24,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 17: 4557-61 (2007) Article DOI: 10.1016/j.bmcl.2007.05.092 BindingDB Entry DOI: 10.7270/Q2DB81JD
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50215748 (CHEMBL245376 | N-((5-(2-(3-(4-(trifluoromethyl)-1H...) Show SMILES CCNCc1cncc(C=Cc2c[nH]nc2-c2ncc([nH]2)C(F)(F)F)c1 |w:9.8| Show InChI InChI=1S/C17H17F3N6/c1-2-21-7-12-5-11(6-22-8-12)3-4-13-9-24-26-15(13)16-23-10-14(25-16)17(18,19)20/h3-6,8-10,21H,2,7H2,1H3,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of VEGFR2				Bioorg Med Chem Lett 17: 4557-61 (2007) Article DOI: 10.1016/j.bmcl.2007.05.092 BindingDB Entry DOI: 10.7270/Q2DB81JD
					More data for this Ligand-Target Pair