BDBM50381692 CHEMBL1979883

SMILES: CN(C)CC#Cc1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1

InChI Key: InChIKey=NRGYZNJPCGRCLV-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 = 50381692   

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 B (Homo sapiens (Human))	BDBM50381692 (CHEMBL1979883) Show SMILES CN(C)CC#Cc1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1 Show InChI InChI=1S/C26H25N5OS/c1-17-6-4-8-21(14-17)30-26(32)29-20-11-9-18(10-12-20)22-16-33-24-19(7-5-13-31(2)3)15-28-25(27)23(22)24/h4,6,8-12,14-16H,13H2,1-3H3,(H2,27,28)(H2,29,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50381692 (CHEMBL1979883) Show SMILES CN(C)CC#Cc1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1 Show InChI InChI=1S/C26H25N5OS/c1-17-6-4-8-21(14-17)30-26(32)29-20-11-9-18(10-12-20)22-16-33-24-19(7-5-13-31(2)3)15-28-25(27)23(22)24/h4,6,8-12,14-16H,13H2,1-3H3,(H2,27,28)(H2,29,30,32)	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	8	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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50381692 (CHEMBL1979883) Show SMILES CN(C)CC#Cc1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1 Show InChI InChI=1S/C26H25N5OS/c1-17-6-4-8-21(14-17)30-26(32)29-20-11-9-18(10-12-20)22-16-33-24-19(7-5-13-31(2)3)15-28-25(27)23(22)24/h4,6,8-12,14-16H,13H2,1-3H3,(H2,27,28)(H2,29,30,32)	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of KDR 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