BDBM50437507 CHEMBL2409781

SMILES: Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)sc4n3)c2)n(C)n1

InChI Key: InChIKey=ZSWBFDGBEZTJRY-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 = 50437507   

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
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50437507 (CHEMBL2409781) Show SMILES Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)sc4n3)c2)n(C)n1 Show InChI InChI=1S/C22H20N6O3S/c1-12-10-17(28(2)27-12)20(30)23-14-4-3-5-15(11-14)31-18-9-8-16-21(25-18)32-22(24-16)26-19(29)13-6-7-13/h3-5,8-11,13H,6-7H2,1-2H3,(H,23,30)(H,24,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of B-raf (unknown origin) in presence of [gamma-33P]-ATP				Bioorg Med Chem 21: 4714-29 (2013) Article DOI: 10.1016/j.bmc.2013.04.042 BindingDB Entry DOI: 10.7270/Q2ZS2XZQ
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50437507 (CHEMBL2409781) Show SMILES Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)sc4n3)c2)n(C)n1 Show InChI InChI=1S/C22H20N6O3S/c1-12-10-17(28(2)27-12)20(30)23-14-4-3-5-15(11-14)31-18-9-8-16-21(25-18)32-22(24-16)26-19(29)13-6-7-13/h3-5,8-11,13H,6-7H2,1-2H3,(H,23,30)(H,24,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta (unknown origin) using biotinylated poly-GluTyr as substrate preincubated for 5 mins followed by ATP addition by AlphaScreen ...				Bioorg Med Chem 21: 4714-29 (2013) Article DOI: 10.1016/j.bmc.2013.04.042 BindingDB Entry DOI: 10.7270/Q2ZS2XZQ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50437507 (CHEMBL2409781) Show SMILES Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)sc4n3)c2)n(C)n1 Show InChI InChI=1S/C22H20N6O3S/c1-12-10-17(28(2)27-12)20(30)23-14-4-3-5-15(11-14)31-18-9-8-16-21(25-18)32-22(24-16)26-19(29)13-6-7-13/h3-5,8-11,13H,6-7H2,1-2H3,(H,23,30)(H,24,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of aurora A (unknown origin) in presence of [gamma-33P]-ATP				Bioorg Med Chem 21: 4714-29 (2013) Article DOI: 10.1016/j.bmc.2013.04.042 BindingDB Entry DOI: 10.7270/Q2ZS2XZQ
					More data for this Ligand-Target Pair