BDBM50354458 CHEMBL1836799

SMILES: Cc1cn2c(cnc2c(Nc2cc(CN3CCC(O)CC3)cs2)n1)-c1cn[nH]c1

InChI Key: InChIKey=LJTRBJOMHDXLSB-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 = 50354458   

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
Tyrosine-protein kinase BRK (Homo sapiens (Human))	BDBM50354458 (CHEMBL1836799) Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(O)CC3)cs2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C20H23N7OS/c1-13-10-27-17(15-7-22-23-8-15)9-21-20(27)19(24-13)25-18-6-14(12-29-18)11-26-4-2-16(28)3-5-26/h6-10,12,16,28H,2-5,11H2,1H3,(H,22,23)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BRK pretreated for 30 mins by microplate reader				Bioorg Med Chem Lett 21: 5870-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.101 BindingDB Entry DOI: 10.7270/Q2PR7WCR
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50354458 (CHEMBL1836799) Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(O)CC3)cs2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C20H23N7OS/c1-13-10-27-17(15-7-22-23-8-15)9-21-20(27)19(24-13)25-18-6-14(12-29-18)11-26-4-2-16(28)3-5-26/h6-10,12,16,28H,2-5,11H2,1H3,(H,22,23)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	<13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of AurB				Bioorg Med Chem Lett 21: 5870-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.101 BindingDB Entry DOI: 10.7270/Q2PR7WCR
					More data for this Ligand-Target Pair