BDBM50354432 CHEMBL1836844

SMILES: CC1(C)CN(CCN1)C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)cc1Cl

InChI Key: InChIKey=QODQEZHGGGAGFQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50354432   

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))	BDBM50354432 (CHEMBL1836844) Show SMILES CC1(C)CN(CCN1)C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)cc1Cl Show InChI InChI=1S/C25H27ClN8O/c1-25(2)14-33(8-7-28-25)24(35)18-6-5-17(9-19(18)26)31-22-23-27-12-21(16-10-29-30-11-16)34(23)13-20(32-22)15-3-4-15/h5-6,9-13,15,28H,3-4,7-8,14H2,1-2H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.59E+3	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))	BDBM50354432 (CHEMBL1836844) Show SMILES CC1(C)CN(CCN1)C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)cc1Cl Show InChI InChI=1S/C25H27ClN8O/c1-25(2)14-33(8-7-28-25)24(35)18-6-5-17(9-19(18)26)31-22-23-27-12-21(16-10-29-30-11-16)34(23)13-20(32-22)15-3-4-15/h5-6,9-13,15,28H,3-4,7-8,14H2,1-2H3,(H,29,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	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))	BDBM50354432 (CHEMBL1836844) Show SMILES CC1(C)CN(CCN1)C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)cc1Cl Show InChI InChI=1S/C25H27ClN8O/c1-25(2)14-33(8-7-28-25)24(35)18-6-5-17(9-19(18)26)31-22-23-27-12-21(16-10-29-30-11-16)34(23)13-20(32-22)15-3-4-15/h5-6,9-13,15,28H,3-4,7-8,14H2,1-2H3,(H,29,30)(H,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	476	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
Tyrosine-protein kinase BRK (Homo sapiens (Human))	BDBM50354432 (CHEMBL1836844) Show SMILES CC1(C)CN(CCN1)C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)cc1Cl Show InChI InChI=1S/C25H27ClN8O/c1-25(2)14-33(8-7-28-25)24(35)18-6-5-17(9-19(18)26)31-22-23-27-12-21(16-10-29-30-11-16)34(23)13-20(32-22)15-3-4-15/h5-6,9-13,15,28H,3-4,7-8,14H2,1-2H3,(H,29,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of phosphorylated SAM68 in 293 WT-PTK6 cells after 3 hrs				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