BDBM50464732 CHEMBL4292485

SMILES: CCCNc1nn2c(nc(cc2=O)C(F)(F)F)s1

InChI Key: InChIKey=PNWIPCZSMBTBRL-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 = 50464732   

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))	BDBM50464732 (CHEMBL4292485) Show SMILES CCCNc1nn2c(nc(cc2=O)C(F)(F)F)s1 Show InChI InChI=1S/C9H9F3N4OS/c1-2-3-13-7-15-16-6(17)4-5(9(10,11)12)14-8(16)18-7/h4H,2-3H2,1H3,(H,13,15)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.44E+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))	BDBM50464732 (CHEMBL4292485) Show SMILES CCCNc1nn2c(nc(cc2=O)C(F)(F)F)s1 Show InChI InChI=1S/C9H9F3N4OS/c1-2-3-13-7-15-16-6(17)4-5(9(10,11)12)14-8(16)18-7/h4H,2-3H2,1H3,(H,13,15)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	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