BDBM50508561 CHEMBL4448768

SMILES: CC(=O)N1CC(C1)NC(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1

InChI Key: InChIKey=DSMWVAJEDQCPPQ-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 = 50508561   

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
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50508561 (CHEMBL4448768) Show SMILES CC(=O)N1CC(C1)NC(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 Show InChI InChI=1S/C28H25N7O2/c1-17(36)35-15-21(16-35)33-28(37)22-5-7-29-14-25(22)32-20-12-23(27-24(13-20)30-8-9-31-27)19-4-3-18-6-10-34(2)26(18)11-19/h3-14,21,32H,15-16H2,1-2H3,(H,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G...				Bioorg Med Chem Lett 29: 646-653 (2019) Article DOI: 10.1016/j.bmcl.2018.12.034
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50508561 (CHEMBL4448768) Show SMILES CC(=O)N1CC(C1)NC(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 Show InChI InChI=1S/C28H25N7O2/c1-17(36)35-15-21(16-35)33-28(37)22-5-7-29-14-25(22)32-20-12-23(27-24(13-20)30-8-9-31-27)19-4-3-18-6-10-34(2)26(18)11-19/h3-14,21,32H,15-16H2,1-2H3,(H,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Inhibition of PFKFB3 in human HCT116 cell lysates assessed as reduction in glycolytic-flux induced fructose-2,6-bisphosphate formation using fructose...				Bioorg Med Chem Lett 29: 646-653 (2019) Article DOI: 10.1016/j.bmcl.2018.12.034
					More data for this Ligand-Target Pair