BDBM50071512 CHEMBL3410395

SMILES: COc1ccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)cc1

InChI Key: InChIKey=DCMSXKBDBWMEHS-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 = 50071512   

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))	BDBM50071512 (CHEMBL3410395) Show SMILES COc1ccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)cc1 Show InChI InChI=1S/C21H21N5O2/c1-13-17(10-11-19(27)24-15-6-8-16(28-3)9-7-15)14(2)26-21(23-13)18-5-4-12-22-20(18)25-26/h4-9,12H,10-11H2,1-3H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.69E+3	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))	BDBM50071512 (CHEMBL3410395) Show SMILES COc1ccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)cc1 Show InChI InChI=1S/C21H21N5O2/c1-13-17(10-11-19(27)24-15-6-8-16(28-3)9-7-15)14(2)26-21(23-13)18-5-4-12-22-20(18)25-26/h4-9,12H,10-11H2,1-3H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+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