BDBM50488591 CHEMBL2289495

SMILES: CCC1(C)Cc2c(CS1)sc1nc(SC)nc(O)c21

InChI Key: InChIKey=AQYOCGSVJFVKPE-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50488591   

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
1-deoxy-D-xylulose 5-phosphate reductoisomerase, chloroplastic (Arabidopsis thaliana)	BDBM50488591 (CHEMBL2289495) Show SMILES CCC1(C)Cc2c(CS1)sc1nc(SC)nc(O)c21 Show InChI InChI=1S/C13H16N2OS3/c1-4-13(2)5-7-8(6-18-13)19-11-9(7)10(16)14-12(15-11)17-3/h4-6H2,1-3H3,(H,14,15,16)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
BASF-SE Curated by ChEMBL					Assay Description Inhibition of Arabidopsis thaliana IspC expressed in Escherichia coli after 40 min by spectrophotometric analysis				Pest Manag Sci 69: 559-63 (2013) Article DOI: 10.1002/ps.3479 BindingDB Entry DOI: 10.7270/Q2DZ0C67
					More data for this Ligand-Target Pair