Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-2' and Ligand = 'BDBM50250878'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50250878 (CHEMBL4074540) Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccccc2[nH]c1=O |r,wU:20.25,wD:18.20,(23.76,-26.81,;22.43,-27.58,;22.43,-29.12,;21.1,-29.89,;19.76,-29.12,;19.76,-27.58,;21.1,-26.81,;21.1,-25.27,;22.34,-24.37,;21.87,-22.9,;20.33,-22.9,;19.85,-24.37,;18.38,-24.85,;18.06,-26.35,;16.6,-26.83,;15.46,-25.8,;15.78,-24.29,;17.24,-23.81,;23.81,-24.85,;24.5,-26.22,;25.88,-25.51,;25.18,-24.14,;27.34,-25.99,;27.81,-27.46,;27.05,-28.79,;27.81,-30.12,;29.35,-30.12,;30.12,-28.79,;29.35,-27.46,;29.83,-25.99,;28.58,-25.09,;28.58,-23.55,)| Show InChI InChI=1S/C23H18ClN7O/c24-16-5-1-3-7-19(16)31-21(28-29-22(31)18-9-10-25-13-26-18)14-11-15(12-14)30-20-8-4-2-6-17(20)27-23(30)32/h1-10,13-15H,11-12H2,(H,27,32)/t14-,15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP) Curated by ChEMBL					Assay Description Inhibition of human TNKS2 (873 to 1162 residues) assessed as reduction in NAD+ consumption by fluorescence assay				J Med Chem 60: 10013-10025 (2017) Article DOI: 10.1021/acs.jmedchem.7b00883 BindingDB Entry DOI: 10.7270/Q2CJ8GXG
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50250878 (CHEMBL4074540) Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccccc2[nH]c1=O |r,wU:20.25,wD:18.20,(23.76,-26.81,;22.43,-27.58,;22.43,-29.12,;21.1,-29.89,;19.76,-29.12,;19.76,-27.58,;21.1,-26.81,;21.1,-25.27,;22.34,-24.37,;21.87,-22.9,;20.33,-22.9,;19.85,-24.37,;18.38,-24.85,;18.06,-26.35,;16.6,-26.83,;15.46,-25.8,;15.78,-24.29,;17.24,-23.81,;23.81,-24.85,;24.5,-26.22,;25.88,-25.51,;25.18,-24.14,;27.34,-25.99,;27.81,-27.46,;27.05,-28.79,;27.81,-30.12,;29.35,-30.12,;30.12,-28.79,;29.35,-27.46,;29.83,-25.99,;28.58,-25.09,;28.58,-23.55,)| Show InChI InChI=1S/C23H18ClN7O/c24-16-5-1-3-7-19(16)31-21(28-29-22(31)18-9-10-25-13-26-18)14-11-15(12-14)30-20-8-4-2-6-17(20)27-23(30)32/h1-10,13-15H,11-12H2,(H,27,32)/t14-,15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP) Curated by ChEMBL					Assay Description Inhibition of TNKS2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Wnt3a-induced Wnt/beta-catenin signaling after 24 hrs by luc...				J Med Chem 60: 10013-10025 (2017) Article DOI: 10.1021/acs.jmedchem.7b00883 BindingDB Entry DOI: 10.7270/Q2CJ8GXG
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50250878 (CHEMBL4074540) Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccccc2[nH]c1=O |r,wU:20.25,wD:18.20,(23.76,-26.81,;22.43,-27.58,;22.43,-29.12,;21.1,-29.89,;19.76,-29.12,;19.76,-27.58,;21.1,-26.81,;21.1,-25.27,;22.34,-24.37,;21.87,-22.9,;20.33,-22.9,;19.85,-24.37,;18.38,-24.85,;18.06,-26.35,;16.6,-26.83,;15.46,-25.8,;15.78,-24.29,;17.24,-23.81,;23.81,-24.85,;24.5,-26.22,;25.88,-25.51,;25.18,-24.14,;27.34,-25.99,;27.81,-27.46,;27.05,-28.79,;27.81,-30.12,;29.35,-30.12,;30.12,-28.79,;29.35,-27.46,;29.83,-25.99,;28.58,-25.09,;28.58,-23.55,)| Show InChI InChI=1S/C23H18ClN7O/c24-16-5-1-3-7-19(16)31-21(28-29-22(31)18-9-10-25-13-26-18)14-11-15(12-14)30-20-8-4-2-6-17(20)27-23(30)32/h1-10,13-15H,11-12H2,(H,27,32)/t14-,15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP) Curated by ChEMBL					Assay Description Inhibition of TNKS2 (unknown origin) transfected in human SW480 cells assessed as inhibition of Wnt3a-induced Wnt/beta-catenin signaling after 48 hrs...				J Med Chem 60: 10013-10025 (2017) Article DOI: 10.1021/acs.jmedchem.7b00883 BindingDB Entry DOI: 10.7270/Q2CJ8GXG
					More data for this Ligand-Target Pair