BDBM50381997 CHEMBL2022379

SMILES: CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4)c3)sn2)C1

InChI Key: InChIKey=RIQJIFBZCJKJLX-UHFFFAOYSA-N

Data: 6 IC50  1 EC50

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 7 hits for monomerid = 50381997   

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))	BDBM50381997 (CHEMBL2022379) Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4)c3)sn2)C1 Show InChI InChI=1S/C27H30N10OS/c1-18-4-3-9-35(13-18)16-22-10-25(39-34-22)33-26-27-29-12-23(37(27)14-19(2)31-26)20-11-30-36(15-20)17-24(38)32-21-5-7-28-8-6-21/h5-8,10-12,14-15,18H,3-4,9,13,16-17H2,1-2H3,(H,31,33)(H,28,32,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	83	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of aurora B kinase in human HCT116 cells assessed as inhibition of histone H3 phosphorylation incubated for 1 hr by Hoechst 33342 staining...				Bioorg Med Chem Lett 22: 3544-9 (2012) Article DOI: 10.1016/j.bmcl.2012.03.051 BindingDB Entry DOI: 10.7270/Q2X34ZGD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50381997 (CHEMBL2022379) Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4)c3)sn2)C1 Show InChI InChI=1S/C27H30N10OS/c1-18-4-3-9-35(13-18)16-22-10-25(39-34-22)33-26-27-29-12-23(37(27)14-19(2)31-26)20-11-30-36(15-20)17-24(38)32-21-5-7-28-8-6-21/h5-8,10-12,14-15,18H,3-4,9,13,16-17H2,1-2H3,(H,31,33)(H,28,32,38)	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	100	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 22: 3544-9 (2012) Article DOI: 10.1016/j.bmcl.2012.03.051 BindingDB Entry DOI: 10.7270/Q2X34ZGD
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50381997 (CHEMBL2022379) Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4)c3)sn2)C1 Show InChI InChI=1S/C27H30N10OS/c1-18-4-3-9-35(13-18)16-22-10-25(39-34-22)33-26-27-29-12-23(37(27)14-19(2)31-26)20-11-30-36(15-20)17-24(38)32-21-5-7-28-8-6-21/h5-8,10-12,14-15,18H,3-4,9,13,16-17H2,1-2H3,(H,31,33)(H,28,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of IRAK4				Bioorg Med Chem Lett 22: 3544-9 (2012) Article DOI: 10.1016/j.bmcl.2012.03.051 BindingDB Entry DOI: 10.7270/Q2X34ZGD
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50381997 (CHEMBL2022379) Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4)c3)sn2)C1 Show InChI InChI=1S/C27H30N10OS/c1-18-4-3-9-35(13-18)16-22-10-25(39-34-22)33-26-27-29-12-23(37(27)14-19(2)31-26)20-11-30-36(15-20)17-24(38)32-21-5-7-28-8-6-21/h5-8,10-12,14-15,18H,3-4,9,13,16-17H2,1-2H3,(H,31,33)(H,28,32,38)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay				Bioorg Med Chem Lett 22: 3544-9 (2012) Article DOI: 10.1016/j.bmcl.2012.03.051 BindingDB Entry DOI: 10.7270/Q2X34ZGD
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50381997 (CHEMBL2022379) Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4)c3)sn2)C1 Show InChI InChI=1S/C27H30N10OS/c1-18-4-3-9-35(13-18)16-22-10-25(39-34-22)33-26-27-29-12-23(37(27)14-19(2)31-26)20-11-30-36(15-20)17-24(38)32-21-5-7-28-8-6-21/h5-8,10-12,14-15,18H,3-4,9,13,16-17H2,1-2H3,(H,31,33)(H,28,32,38)	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	108	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of VEGFR2				Bioorg Med Chem Lett 22: 3544-9 (2012) Article DOI: 10.1016/j.bmcl.2012.03.051 BindingDB Entry DOI: 10.7270/Q2X34ZGD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50381997 (CHEMBL2022379) Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4)c3)sn2)C1 Show InChI InChI=1S/C27H30N10OS/c1-18-4-3-9-35(13-18)16-22-10-25(39-34-22)33-26-27-29-12-23(37(27)14-19(2)31-26)20-11-30-36(15-20)17-24(38)32-21-5-7-28-8-6-21/h5-8,10-12,14-15,18H,3-4,9,13,16-17H2,1-2H3,(H,31,33)(H,28,32,38)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	731	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of LCK				Bioorg Med Chem Lett 22: 3544-9 (2012) Article DOI: 10.1016/j.bmcl.2012.03.051 BindingDB Entry DOI: 10.7270/Q2X34ZGD
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50381997 (CHEMBL2022379) Show SMILES CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4)c3)sn2)C1 Show InChI InChI=1S/C27H30N10OS/c1-18-4-3-9-35(13-18)16-22-10-25(39-34-22)33-26-27-29-12-23(37(27)14-19(2)31-26)20-11-30-36(15-20)17-24(38)32-21-5-7-28-8-6-21/h5-8,10-12,14-15,18H,3-4,9,13,16-17H2,1-2H3,(H,31,33)(H,28,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of RSK2				Bioorg Med Chem Lett 22: 3544-9 (2012) Article DOI: 10.1016/j.bmcl.2012.03.051 BindingDB Entry DOI: 10.7270/Q2X34ZGD
					More data for this Ligand-Target Pair