BDBM50533815 CHEMBL4434704

SMILES: COc1ccc2NC(=O)C(=Cc3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCN(C)CC3)c2c1

InChI Key: InChIKey=TVRYEYSLCUPRPL-LPYMAVHISA-N

Data: 5 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 5 hits for monomerid = 50533815   

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))	BDBM50533815 (CHEMBL4434704) Show SMILES COc1ccc2NC(=O)C(=Cc3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C27H26N6O2/c1-32-9-11-33(12-10-32)25-8-4-18(16-28-25)26-20-6-3-17(14-24(20)30-31-26)13-22-21-15-19(35-2)5-7-23(21)29-27(22)34/h3-8,13-16H,9-12H2,1-2H3,(H,29,34)(H,30,31)/b22-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of AURKB (unknown origin)				Bioorg Med Chem Lett 26: 4625-4630 (2016) Article DOI: 10.1016/j.bmcl.2016.08.063
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM50533815 (CHEMBL4434704) Show SMILES COc1ccc2NC(=O)C(=Cc3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C27H26N6O2/c1-32-9-11-33(12-10-32)25-8-4-18(16-28-25)26-20-6-3-17(14-24(20)30-31-26)13-22-21-15-19(35-2)5-7-23(21)29-27(22)34/h3-8,13-16H,9-12H2,1-2H3,(H,29,34)(H,30,31)/b22-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of PLK4 (unknown origin)				Bioorg Med Chem Lett 26: 4625-4630 (2016) Article DOI: 10.1016/j.bmcl.2016.08.063
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50533815 (CHEMBL4434704) Show SMILES COc1ccc2NC(=O)C(=Cc3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C27H26N6O2/c1-32-9-11-33(12-10-32)25-8-4-18(16-28-25)26-20-6-3-17(14-24(20)30-31-26)13-22-21-15-19(35-2)5-7-23(21)29-27(22)34/h3-8,13-16H,9-12H2,1-2H3,(H,29,34)(H,30,31)/b22-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of KDR (unknown origin)				Bioorg Med Chem Lett 26: 4625-4630 (2016) Article DOI: 10.1016/j.bmcl.2016.08.063
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50533815 (CHEMBL4434704) Show SMILES COc1ccc2NC(=O)C(=Cc3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C27H26N6O2/c1-32-9-11-33(12-10-32)25-8-4-18(16-28-25)26-20-6-3-17(14-24(20)30-31-26)13-22-21-15-19(35-2)5-7-23(21)29-27(22)34/h3-8,13-16H,9-12H2,1-2H3,(H,29,34)(H,30,31)/b22-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of AURKA (unknown origin)				Bioorg Med Chem Lett 26: 4625-4630 (2016) Article DOI: 10.1016/j.bmcl.2016.08.063
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50533815 (CHEMBL4434704) Show SMILES COc1ccc2NC(=O)C(=Cc3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C27H26N6O2/c1-32-9-11-33(12-10-32)25-8-4-18(16-28-25)26-20-6-3-17(14-24(20)30-31-26)13-22-21-15-19(35-2)5-7-23(21)29-27(22)34/h3-8,13-16H,9-12H2,1-2H3,(H,29,34)(H,30,31)/b22-13+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin)				Bioorg Med Chem Lett 26: 4625-4630 (2016) Article DOI: 10.1016/j.bmcl.2016.08.063
					More data for this Ligand-Target Pair