BDBM50188594 CHEBI:62878::CHEMBL1086580::US20240279201, Compound XAV939

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

InChI Key: InChIKey=KLGQSVMIPOVQAX-UHFFFAOYSA-N

Data: 2 KI  51 IC50  2 Kd

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 55 hits for monomerid = 50188594   

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
Protein mono-ADP-ribosyltransferase PARP3 (Human)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	839	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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) 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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	10	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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) 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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	95.5	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 PARP4 (Human)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14 (Human)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.89E+3	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 (Human)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	832	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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) 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 tankyrase-2 (Human)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.25	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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) 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 1 (Human)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) 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
Poly [ADP-ribose] polymerase 2 (Human)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) 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
Protein mono-ADP-ribosyltransferase PARP4 (Human)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.39E+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 1 (Human)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	169	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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	166	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 PARP14 (Human)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.90E+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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.20	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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	74	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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	27	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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	95	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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	<5.01E+3	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 PARP4 (Human)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	<5.01E+3	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 PARP14 (Human)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	<5.01E+3	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 PARP16 (Human)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	<5.01E+3	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 PARP11 (Human)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	<5.01E+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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a (Human)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a (Human)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	166	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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	4.20	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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	13	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/tankyrase-2 (Human)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) 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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.20	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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.10	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/tankyrase-2 (Human)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	707	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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.60	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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) 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/tankyrase-2 (Human)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	351	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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.5	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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Catenin beta-1/Protein Wnt-3a (Human)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	166	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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) 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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) 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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.19E+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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) 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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.90	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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.10	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)	BDBM50188594 (CHEMBL1086580 | CHEBI:62878 | US20240279201, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair