BDBM50354425 CHEMBL1836754

SMILES: CCc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1)-c1cn[nH]c1

InChI Key: InChIKey=FRJOVFNLSNXELB-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 = 50354425   

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))	BDBM50354425 (CHEMBL1836754) Show SMILES CCc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C22H23ClN8O/c1-2-15-13-31-19(14-10-26-27-11-14)12-25-21(31)20(28-15)29-16-3-4-17(18(23)9-16)22(32)30-7-5-24-6-8-30/h3-4,9-13,24H,2,5-8H2,1H3,(H,26,27)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	653	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))	BDBM50354425 (CHEMBL1836754) Show SMILES CCc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C22H23ClN8O/c1-2-15-13-31-19(14-10-26-27-11-14)12-25-21(31)20(28-15)29-16-3-4-17(18(23)9-16)22(32)30-7-5-24-6-8-30/h3-4,9-13,24H,2,5-8H2,1H3,(H,26,27)(H,28,29)	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))	BDBM50354425 (CHEMBL1836754) Show SMILES CCc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C22H23ClN8O/c1-2-15-13-31-19(14-10-26-27-11-14)12-25-21(31)20(28-15)29-16-3-4-17(18(23)9-16)22(32)30-7-5-24-6-8-30/h3-4,9-13,24H,2,5-8H2,1H3,(H,26,27)(H,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	722	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))	BDBM50354425 (CHEMBL1836754) Show SMILES CCc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C22H23ClN8O/c1-2-15-13-31-19(14-10-26-27-11-14)12-25-21(31)20(28-15)29-16-3-4-17(18(23)9-16)22(32)30-7-5-24-6-8-30/h3-4,9-13,24H,2,5-8H2,1H3,(H,26,27)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	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