BDBM50541695 CHEMBL4639869

SMILES: Fc1ccccc1-n1c(nnc1-c1nccs1)[C@H]1C[C@@H](C1)NC(=O)c1ccnc2cccnc12

InChI Key: InChIKey=VJGJUSYNOCTGBZ-SHTZXODSSA-N

Data: 2 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 2 hits for monomerid = 50541695   

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
Tankyrase 1/2 (Homo sapiens (Human))	BDBM50541695 (CHEMBL4639869) Show SMILES Fc1ccccc1-n1c(nnc1-c1nccs1)[C@H]1C[C@@H](C1)NC(=O)c1ccnc2cccnc12 |r,wU:19.24,wD:17.19,(40.76,-5.91,;39.43,-6.69,;39.43,-8.22,;38.09,-9,;36.76,-8.23,;36.76,-6.69,;38.1,-5.92,;38.09,-4.38,;39.34,-3.48,;38.86,-2.01,;37.32,-2.01,;36.85,-3.48,;35.39,-3.95,;34.14,-3.05,;32.89,-3.95,;33.37,-5.42,;34.91,-5.42,;40.8,-3.96,;41.5,-5.33,;42.87,-4.63,;42.17,-3.26,;44.34,-5.11,;45.48,-4.08,;45.16,-2.57,;46.95,-4.55,;48.08,-3.52,;49.54,-3.99,;49.87,-5.51,;48.72,-6.54,;49.04,-8.03,;47.91,-9.06,;46.45,-8.59,;46.13,-7.09,;47.26,-6.06,)| Show InChI InChI=1S/C24H18FN7OS/c25-17-4-1-2-6-19(17)32-21(30-31-22(32)24-28-10-11-34-24)14-12-15(13-14)29-23(33)16-7-9-26-18-5-3-8-27-20(16)18/h1-11,14-15H,12-13H2,(H,29,33)/t14-,15-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Inhibition of TNKS1/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by dual-glo lucifer...				J Med Chem 63: 6834-6846 (2020)
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50541695 (CHEMBL4639869) Show SMILES Fc1ccccc1-n1c(nnc1-c1nccs1)[C@H]1C[C@@H](C1)NC(=O)c1ccnc2cccnc12 |r,wU:19.24,wD:17.19,(40.76,-5.91,;39.43,-6.69,;39.43,-8.22,;38.09,-9,;36.76,-8.23,;36.76,-6.69,;38.1,-5.92,;38.09,-4.38,;39.34,-3.48,;38.86,-2.01,;37.32,-2.01,;36.85,-3.48,;35.39,-3.95,;34.14,-3.05,;32.89,-3.95,;33.37,-5.42,;34.91,-5.42,;40.8,-3.96,;41.5,-5.33,;42.87,-4.63,;42.17,-3.26,;44.34,-5.11,;45.48,-4.08,;45.16,-2.57,;46.95,-4.55,;48.08,-3.52,;49.54,-3.99,;49.87,-5.51,;48.72,-6.54,;49.04,-8.03,;47.91,-9.06,;46.45,-8.59,;46.13,-7.09,;47.26,-6.06,)| Show InChI InChI=1S/C24H18FN7OS/c25-17-4-1-2-6-19(17)32-21(30-31-22(32)24-28-10-11-34-24)14-12-15(13-14)29-23(33)16-7-9-26-18-5-3-8-27-20(16)18/h1-11,14-15H,12-13H2,(H,29,33)/t14-,15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Inhibition of human TNKS2 (873 to 1162 residues) measured after 20 hrs in presence of NAD+ by fluorescence assay				J Med Chem 63: 6834-6846 (2020)
					More data for this Ligand-Target Pair