BDBM50318567 2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiopyrano-[4,3-d]pyrimidin-4-ol::2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol::CHEMBL1086580

SMILES: c1cc(ccc1c2nc3c(c(n2)O)CSCC3)C(F)(F)F

InChI Key: InChIKey=KLGQSVMIPOVQAX-UHFFFAOYSA-N

Data: 38 IC50  5 Kd  1 EC50

PDB links: 3 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 56 hits for monomerid = 50318567   

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
Poly [ADP-ribose] polymerase 1 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP6 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protein Wnt-3a (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM50318567 (2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiop...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair