BDBM50438321 CHEMBL2408731

SMILES: Cc1nn(C)cc1-c1cnc(N)c2oc(cc12)-c1csc2cnccc12

InChI Key: InChIKey=ZFWMKNDHIGULFS-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 = 50438321   

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))	BDBM50438321 (CHEMBL2408731) Show SMILES Cc1nn(C)cc1-c1cnc(N)c2oc(cc12)-c1csc2cnccc12 Show InChI InChI=1S/C19H15N5OS/c1-10-14(8-24(2)23-10)13-6-22-19(20)18-12(13)5-16(25-18)15-9-26-17-7-21-4-3-11(15)17/h3-9H,1-2H3,(H2,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of aurora B kinase in human HT-29 cells assessed as inhibition of histone H3 S10 phosphorylation				Bioorg Med Chem Lett 23: 4511-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.054 BindingDB Entry DOI: 10.7270/Q2FN17MJ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50438321 (CHEMBL2408731) Show SMILES Cc1nn(C)cc1-c1cnc(N)c2oc(cc12)-c1csc2cnccc12 Show InChI InChI=1S/C19H15N5OS/c1-10-14(8-24(2)23-10)13-6-22-19(20)18-12(13)5-16(25-18)15-9-26-17-7-21-4-3-11(15)17/h3-9H,1-2H3,(H2,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation				Bioorg Med Chem Lett 23: 4511-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.054 BindingDB Entry DOI: 10.7270/Q2FN17MJ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1 (Homo sapiens (Human))	BDBM50438321 (CHEMBL2408731) Show SMILES Cc1nn(C)cc1-c1cnc(N)c2oc(cc12)-c1csc2cnccc12 Show InChI InChI=1S/C19H15N5OS/c1-10-14(8-24(2)23-10)13-6-22-19(20)18-12(13)5-16(25-18)15-9-26-17-7-21-4-3-11(15)17/h3-9H,1-2H3,(H2,20,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP				Bioorg Med Chem Lett 23: 4511-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.054 BindingDB Entry DOI: 10.7270/Q2FN17MJ
					More data for this Ligand-Target Pair