BDBM50464731 CHEMBL4295150

SMILES: CCOc1ccc(Nc2nn3c(nc(cc3=O)C(F)(F)F)s2)cc1

InChI Key: InChIKey=KLZTXKRHTGXSOD-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 = 50464731   

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
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM50464731 (CHEMBL4295150) Show SMILES CCOc1ccc(Nc2nn3c(nc(cc3=O)C(F)(F)F)s2)cc1 Show InChI InChI=1S/C14H11F3N4O2S/c1-2-23-9-5-3-8(4-6-9)18-12-20-21-11(22)7-10(14(15,16)17)19-13(21)24-12/h3-7H,2H2,1H3,(H,18,20)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Rostock Curated by ChEMBL					Assay Description Inhibition of human TNAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by...				Eur J Med Chem 144: 116-127 (2018) Article DOI: 10.1016/j.ejmech.2017.11.068 BindingDB Entry DOI: 10.7270/Q2W66PDP
					More data for this Ligand-Target Pair
Intestinal alkaline phosphatase (Homo sapiens (Human))	BDBM50464731 (CHEMBL4295150) Show SMILES CCOc1ccc(Nc2nn3c(nc(cc3=O)C(F)(F)F)s2)cc1 Show InChI InChI=1S/C14H11F3N4O2S/c1-2-23-9-5-3-8(4-6-9)18-12-20-21-11(22)7-10(14(15,16)17)19-13(21)24-12/h3-7H,2H2,1H3,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Rostock Curated by ChEMBL					Assay Description Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by ...				Eur J Med Chem 144: 116-127 (2018) Article DOI: 10.1016/j.ejmech.2017.11.068 BindingDB Entry DOI: 10.7270/Q2W66PDP
					More data for this Ligand-Target Pair