BDBM50071461 CHEMBL3410251

SMILES: Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)NC1CCCCC1

InChI Key: InChIKey=CELWNXUSVKNTKW-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 = 50071461   

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
Pantothenate kinase 1 (Homo sapiens (Human))	BDBM50071461 (CHEMBL3410251) Show SMILES Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)NC1CCCCC1 Show InChI InChI=1S/C20H25N5O/c1-13-16(10-11-18(26)23-15-7-4-3-5-8-15)14(2)25-20(22-13)17-9-6-12-21-19(17)24-25/h6,9,12,15H,3-5,7-8,10-11H2,1-2H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay				J Med Chem 58: 1563-8 (2015) Article DOI: 10.1021/jm501585q BindingDB Entry DOI: 10.7270/Q28W3G00
					More data for this Ligand-Target Pair
Pantothenate kinase 3 (Homo sapiens (Human))	BDBM50071461 (CHEMBL3410251) Show SMILES Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)NC1CCCCC1 Show InChI InChI=1S/C20H25N5O/c1-13-16(10-11-18(26)23-15-7-4-3-5-8-15)14(2)25-20(22-13)17-9-6-12-21-19(17)24-25/h6,9,12,15H,3-5,7-8,10-11H2,1-2H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Pank3 (unknown origin) by Kinase Glo HTS assay				J Med Chem 58: 1563-8 (2015) Article DOI: 10.1021/jm501585q BindingDB Entry DOI: 10.7270/Q28W3G00
					More data for this Ligand-Target Pair