BDBM50381712 CHEMBL2022852

SMILES: CC(C)CCn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1

InChI Key: InChIKey=CAQMYVREIKAKFV-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 = 50381712   

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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50381712 (CHEMBL2022852) Show SMILES CC(C)CCn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1 Show InChI InChI=1S/C28H27FN6OS/c1-17(2)10-11-35-15-19(13-32-35)23-14-31-27(30)25-24(16-37-26(23)25)18-6-8-21(9-7-18)33-28(36)34-22-5-3-4-20(29)12-22/h3-9,12-17H,10-11H2,1-2H3,(H2,30,31)(H2,33,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells				Bioorg Med Chem Lett 22: 3208-12 (2012) Article DOI: 10.1016/j.bmcl.2012.03.035 BindingDB Entry DOI: 10.7270/Q2000336
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50381712 (CHEMBL2022852) Show SMILES CC(C)CCn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1 Show InChI InChI=1S/C28H27FN6OS/c1-17(2)10-11-35-15-19(13-32-35)23-14-31-27(30)25-24(16-37-26(23)25)18-6-8-21(9-7-18)33-28(36)34-22-5-3-4-20(29)12-22/h3-9,12-17H,10-11H2,1-2H3,(H2,30,31)(H2,33,34,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	529	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Aurora B using 1 mM ATP by HTRF assay				Bioorg Med Chem Lett 22: 3208-12 (2012) Article DOI: 10.1016/j.bmcl.2012.03.035 BindingDB Entry DOI: 10.7270/Q2000336
					More data for this Ligand-Target Pair