BDBM50354456 CHEMBL1836760

SMILES: CCOc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sc1C(=O)N1CCCC(C)C1

InChI Key: InChIKey=HCVSOJQZDUYODJ-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 = 50354456   

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))	BDBM50354456 (CHEMBL1836760) Show SMILES CCOc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sc1C(=O)N1CCCC(C)C1 Show InChI InChI=1S/C23H27N7O2S/c1-4-32-18-8-19(33-20(18)23(31)29-7-5-6-14(2)12-29)28-21-22-24-11-17(16-9-25-26-10-16)30(22)13-15(3)27-21/h8-11,13-14H,4-7,12H2,1-3H3,(H,25,26)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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
Tyrosine-protein kinase BRK (Homo sapiens (Human))	BDBM50354456 (CHEMBL1836760) Show SMILES CCOc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sc1C(=O)N1CCCC(C)C1 Show InChI InChI=1S/C23H27N7O2S/c1-4-32-18-8-19(33-20(18)23(31)29-7-5-6-14(2)12-29)28-21-22-24-11-17(16-9-25-26-10-16)30(22)13-15(3)27-21/h8-11,13-14H,4-7,12H2,1-3H3,(H,25,26)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50354456 (CHEMBL1836760) Show SMILES CCOc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sc1C(=O)N1CCCC(C)C1 Show InChI InChI=1S/C23H27N7O2S/c1-4-32-18-8-19(33-20(18)23(31)29-7-5-6-14(2)12-29)28-21-22-24-11-17(16-9-25-26-10-16)30(22)13-15(3)27-21/h8-11,13-14H,4-7,12H2,1-3H3,(H,25,26)(H,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of LCK				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