BDBM50354431 CHEMBL1836840

SMILES: Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3C[C@H]4CC[C@@H]3CN4)c(Cl)c2)n1)-c1cn[nH]c1

InChI Key: InChIKey=KXEVSPQLDCBMPG-IAGOWNOFSA-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 = 50354431   

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))	BDBM50354431 (CHEMBL1836840) Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3C[C@H]4CC[C@@H]3CN4)c(Cl)c2)n1)-c1cn[nH]c1 |r| Show InChI InChI=1S/C23H23ClN8O/c1-13-11-32-20(14-7-27-28-8-14)10-26-22(32)21(29-13)30-15-3-5-18(19(24)6-15)23(33)31-12-16-2-4-17(31)9-25-16/h3,5-8,10-11,16-17,25H,2,4,9,12H2,1H3,(H,27,28)(H,29,30)/t16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	339	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))	BDBM50354431 (CHEMBL1836840) Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3C[C@H]4CC[C@@H]3CN4)c(Cl)c2)n1)-c1cn[nH]c1 |r| Show InChI InChI=1S/C23H23ClN8O/c1-13-11-32-20(14-7-27-28-8-14)10-26-22(32)21(29-13)30-15-3-5-18(19(24)6-15)23(33)31-12-16-2-4-17(31)9-25-16/h3,5-8,10-11,16-17,25H,2,4,9,12H2,1H3,(H,27,28)(H,29,30)/t16-,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	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))	BDBM50354431 (CHEMBL1836840) Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3C[C@H]4CC[C@@H]3CN4)c(Cl)c2)n1)-c1cn[nH]c1 |r| Show InChI InChI=1S/C23H23ClN8O/c1-13-11-32-20(14-7-27-28-8-14)10-26-22(32)21(29-13)30-15-3-5-18(19(24)6-15)23(33)31-12-16-2-4-17(31)9-25-16/h3,5-8,10-11,16-17,25H,2,4,9,12H2,1H3,(H,27,28)(H,29,30)/t16-,17-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	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))	BDBM50354431 (CHEMBL1836840) Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3C[C@H]4CC[C@@H]3CN4)c(Cl)c2)n1)-c1cn[nH]c1 |r| Show InChI InChI=1S/C23H23ClN8O/c1-13-11-32-20(14-7-27-28-8-14)10-26-22(32)21(29-13)30-15-3-5-18(19(24)6-15)23(33)31-12-16-2-4-17(31)9-25-16/h3,5-8,10-11,16-17,25H,2,4,9,12H2,1H3,(H,27,28)(H,29,30)/t16-,17-/m1/s1	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