BDBM50349985 CHEMBL1813043

SMILES: CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(C)cc2)c1C

InChI Key: InChIKey=XMSAEMGLTAFMTQ-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 = 50349985   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50349985 (CHEMBL1813043) Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(C)cc2)c1C Show InChI InChI=1S/C25H30N6O2/c1-17-7-9-20(10-8-17)15-33-21-11-13-31(14-12-21)25-27-16-26-24(30-25)29-23-6-4-5-22(18(23)2)28-19(3)32/h4-10,16,21H,11-15H2,1-3H3,(H,28,32)(H,26,27,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Erg expressed in human HEK293 cells by patch-clamp electrophysiological assay				J Med Chem 54: 4427-45 (2011) Article DOI: 10.1021/jm200018k BindingDB Entry DOI: 10.7270/Q2N016W1
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50349985 (CHEMBL1813043) Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(C)cc2)c1C Show InChI InChI=1S/C25H30N6O2/c1-17-7-9-20(10-8-17)15-33-21-11-13-31(14-12-21)25-27-16-26-24(30-25)29-23-6-4-5-22(18(23)2)28-19(3)32/h4-10,16,21H,11-15H2,1-3H3,(H,28,32)(H,26,27,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay				J Med Chem 54: 4427-45 (2011) Article DOI: 10.1021/jm200018k BindingDB Entry DOI: 10.7270/Q2N016W1
					More data for this Ligand-Target Pair