BDBM50381693 CHEMBL2023221

SMILES: CNC(=O)c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1

InChI Key: InChIKey=JBKRHKORBCTVLD-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 = 50381693   

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))	BDBM50381693 (CHEMBL2023221) Show SMILES CNC(=O)c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1 Show InChI InChI=1S/C23H21N5O2S/c1-13-4-3-5-16(10-13)28-23(30)27-15-8-6-14(7-9-15)18-12-31-20-17(22(29)25-2)11-26-21(24)19(18)20/h3-12H,1-2H3,(H2,24,26)(H,25,29)(H2,27,28,30)	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	1	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))	BDBM50381693 (CHEMBL2023221) Show SMILES CNC(=O)c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1 Show InChI InChI=1S/C23H21N5O2S/c1-13-4-3-5-16(10-13)28-23(30)27-15-8-6-14(7-9-15)18-12-31-20-17(22(29)25-2)11-26-21(24)19(18)20/h3-12H,1-2H3,(H2,24,26)(H,25,29)(H2,27,28,30)	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	2	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))	BDBM50381693 (CHEMBL2023221) Show SMILES CNC(=O)c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1 Show InChI InChI=1S/C23H21N5O2S/c1-13-4-3-5-16(10-13)28-23(30)27-15-8-6-14(7-9-15)18-12-31-20-17(22(29)25-2)11-26-21(24)19(18)20/h3-12H,1-2H3,(H2,24,26)(H,25,29)(H2,27,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	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