BDBM50354409 CHEMBL1836805

SMILES: CN1CCN(CC1)C(=O)c1ccc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)cc1Cl

InChI Key: InChIKey=IUNPJGYYFGSTCM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50354409   

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
Tyrosine-protein kinase BRK (Homo sapiens (Human))	BDBM50354409 (CHEMBL1836805) Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)cc1Cl Show InChI InChI=1S/C22H23ClN8O/c1-14-13-31-19(15-10-25-26-11-15)12-24-21(31)20(27-14)28-16-3-4-17(18(23)9-16)22(32)30-7-5-29(2)6-8-30/h3-4,9-13H,5-8H2,1-2H3,(H,25,26)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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 BRK (Homo sapiens (Human))	BDBM50354409 (CHEMBL1836805) Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)cc1Cl Show InChI InChI=1S/C22H23ClN8O/c1-14-13-31-19(15-10-25-26-11-15)12-24-21(31)20(27-14)28-16-3-4-17(18(23)9-16)22(32)30-7-5-29(2)6-8-30/h3-4,9-13H,5-8H2,1-2H3,(H,25,26)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>600	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