BDBM50533243 CHEMBL4514298

SMILES: COc1ccc(cc1)C1CC(=NN1C(=S)Nc1cccc(OC)c1)c1ccc2ccccc2c1O

InChI Key: InChIKey=NGAGJZYKTLEWKK-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50533243   

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))	BDBM50533243 (CHEMBL4514298) Show SMILES COc1ccc(cc1)C1CC(=NN1C(=S)Nc1cccc(OC)c1)c1ccc2ccccc2c1O |c:11| Show InChI InChI=1S/C28H25N3O3S/c1-33-21-13-10-19(11-14-21)26-17-25(24-15-12-18-6-3-4-9-23(18)27(24)32)30-31(26)28(35)29-20-7-5-8-22(16-20)34-2/h3-16,26,32H,17H2,1-2H3,(H,29,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged aurora B expressed in baculovirus infected Sf21 insect cells by Western blot analysis				Bioorg Med Chem Lett 26: 4301-9 (2016) Article DOI: 10.1016/j.bmcl.2016.07.037
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50533243 (CHEMBL4514298) Show SMILES COc1ccc(cc1)C1CC(=NN1C(=S)Nc1cccc(OC)c1)c1ccc2ccccc2c1O |c:11| Show InChI InChI=1S/C28H25N3O3S/c1-33-21-13-10-19(11-14-21)26-17-25(24-15-12-18-6-3-4-9-23(18)27(24)32)30-31(26)28(35)29-20-7-5-8-22(16-20)34-2/h3-16,26,32H,17H2,1-2H3,(H,29,35)	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	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged full-length aurora A expressed in Sf21 insect cells using ER-alpha as substrate after 25 mins ...				Bioorg Med Chem Lett 26: 4301-9 (2016) Article DOI: 10.1016/j.bmcl.2016.07.037
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50533243 (CHEMBL4514298) Show SMILES COc1ccc(cc1)C1CC(=NN1C(=S)Nc1cccc(OC)c1)c1ccc2ccccc2c1O |c:11| Show InChI InChI=1S/C28H25N3O3S/c1-33-21-13-10-19(11-14-21)26-17-25(24-15-12-18-6-3-4-9-23(18)27(24)32)30-31(26)28(35)29-20-7-5-8-22(16-20)34-2/h3-16,26,32H,17H2,1-2H3,(H,29,35)	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	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged full-length aurora A expressed in Sf21 insect cells using ER-alpha as substrate after 25 mins ...				Bioorg Med Chem Lett 26: 4301-9 (2016) Article DOI: 10.1016/j.bmcl.2016.07.037
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50533243 (CHEMBL4514298) Show SMILES COc1ccc(cc1)C1CC(=NN1C(=S)Nc1cccc(OC)c1)c1ccc2ccccc2c1O |c:11| Show InChI InChI=1S/C28H25N3O3S/c1-33-21-13-10-19(11-14-21)26-17-25(24-15-12-18-6-3-4-9-23(18)27(24)32)30-31(26)28(35)29-20-7-5-8-22(16-20)34-2/h3-16,26,32H,17H2,1-2H3,(H,29,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged aurora B expressed in baculovirus infected Sf21 insect cells by Western blot analysis				Bioorg Med Chem Lett 26: 4301-9 (2016) Article DOI: 10.1016/j.bmcl.2016.07.037
					More data for this Ligand-Target Pair