BDBM50354422 CHEMBL1836815

SMILES: Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3(C)C)c(Cl)c2)n1)-c1cn[nH]c1

InChI Key: InChIKey=PIFIUSSWDVBNHK-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 = 50354422   

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))	BDBM50354422 (CHEMBL1836815) Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3(C)C)c(Cl)c2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C23H25ClN8O/c1-14-12-31-19(15-9-27-28-10-15)11-26-21(31)20(29-14)30-16-4-5-17(18(24)8-16)22(33)32-7-6-25-13-23(32,2)3/h4-5,8-12,25H,6-7,13H2,1-3H3,(H,27,28)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+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))	BDBM50354422 (CHEMBL1836815) Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3(C)C)c(Cl)c2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C23H25ClN8O/c1-14-12-31-19(15-9-27-28-10-15)11-26-21(31)20(29-14)30-16-4-5-17(18(24)8-16)22(33)32-7-6-25-13-23(32,2)3/h4-5,8-12,25H,6-7,13H2,1-3H3,(H,27,28)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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))	BDBM50354422 (CHEMBL1836815) Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3(C)C)c(Cl)c2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C23H25ClN8O/c1-14-12-31-19(15-9-27-28-10-15)11-26-21(31)20(29-14)30-16-4-5-17(18(24)8-16)22(33)32-7-6-25-13-23(32,2)3/h4-5,8-12,25H,6-7,13H2,1-3H3,(H,27,28)(H,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.26E+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))	BDBM50354422 (CHEMBL1836815) Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3(C)C)c(Cl)c2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C23H25ClN8O/c1-14-12-31-19(15-9-27-28-10-15)11-26-21(31)20(29-14)30-16-4-5-17(18(24)8-16)22(33)32-7-6-25-13-23(32,2)3/h4-5,8-12,25H,6-7,13H2,1-3H3,(H,27,28)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	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