BDBM50053238 CHEMBL3330230

SMILES: Brc1cc2c(NC3CCCNC3)c(-c3nc4ccccc4[nH]3)c(=O)[nH]c2s1

InChI Key: InChIKey=MQFYZWYYZGTHAN-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50053238   

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 A (Homo sapiens (Human))	BDBM50053238 (CHEMBL3330230) Show SMILES Brc1cc2c(NC3CCCNC3)c(-c3nc4ccccc4[nH]3)c(=O)[nH]c2s1 Show InChI InChI=1S/C19H18BrN5OS/c20-14-8-11-16(22-10-4-3-7-21-9-10)15(18(26)25-19(11)27-14)17-23-12-5-1-2-6-13(12)24-17/h1-2,5-6,8,10,21H,3-4,7,9H2,(H,23,24)(H2,22,25,26)	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	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) expressed in Escherichia coli by ZLYTETM assay				Bioorg Med Chem 22: 4882-92 (2014) Article DOI: 10.1016/j.bmc.2014.06.044 BindingDB Entry DOI: 10.7270/Q2TM7CRB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50053238 (CHEMBL3330230) Show SMILES Brc1cc2c(NC3CCCNC3)c(-c3nc4ccccc4[nH]3)c(=O)[nH]c2s1 Show InChI InChI=1S/C19H18BrN5OS/c20-14-8-11-16(22-10-4-3-7-21-9-10)15(18(26)25-19(11)27-14)17-23-12-5-1-2-6-13(12)24-17/h1-2,5-6,8,10,21H,3-4,7,9H2,(H,23,24)(H2,22,25,26)	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	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay				Bioorg Med Chem 22: 4882-92 (2014) Article DOI: 10.1016/j.bmc.2014.06.044 BindingDB Entry DOI: 10.7270/Q2TM7CRB
					More data for this Ligand-Target Pair