BDBM50071468 CHEMBL3410255

SMILES: Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1ccc(F)cc1

InChI Key: InChIKey=XCHXRRCPVRCAQH-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 = 50071468   

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))	BDBM50071468 (CHEMBL3410255) Show SMILES Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C20H18FN5O/c1-12-16(9-10-18(27)24-15-7-5-14(21)6-8-15)13(2)26-20(23-12)17-4-3-11-22-19(17)25-26/h3-8,11H,9-10H2,1-2H3,(H,24,27)	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 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))	BDBM50071468 (CHEMBL3410255) Show SMILES Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C20H18FN5O/c1-12-16(9-10-18(27)24-15-7-5-14(21)6-8-15)13(2)26-20(23-12)17-4-3-11-22-19(17)25-26/h3-8,11H,9-10H2,1-2H3,(H,24,27)	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