BDBM50373886 3-Deazathiamine::CHEMBL401772

SMILES: Cc1c(csc1CCO)Cc2cnc(nc2N)C

InChI Key: InChIKey=HLBXMICRXICHJQ-UHFFFAOYSA-N

Data: 1 KI  2 IC50  3 Kd  1 EC50

PDB links: 2 PDB IDs match this monomer.

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 7 hits for monomerid = 50373886   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Thiamine transporter ThiT (Lactococcus lactis (Firmicutes))	BDBM50373886 (3-Deazathiamine | CHEMBL401772) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	4.23	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial (Pig)	BDBM50373886 (3-Deazathiamine | CHEMBL401772) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Transketolase (Human)	BDBM50373886 (3-Deazathiamine | CHEMBL401772) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Transketolase (Human)	BDBM50373886 (3-Deazathiamine | CHEMBL401772) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Transketolase (Human)	BDBM50373886 (3-Deazathiamine | CHEMBL401772) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Deinococcus radiodurans (strain ATCC 13939 / DSM 2...)	BDBM50373886 (3-Deazathiamine | CHEMBL401772) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial (Pig)	BDBM50373886 (3-Deazathiamine | CHEMBL401772) Show SMILES Show InChI	GoogleScholar	UniChem		18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair