BDBM50541705 CHEMBL4641728

SMILES: Cc1cccc(n1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccn2)n1-c1ccccc1F

InChI Key: InChIKey=FAAVFGPJNCDFEN-QAQDUYKDSA-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 = 50541705   

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
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50541705 (CHEMBL4641728) Show SMILES Cc1cccc(n1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccn2)n1-c1ccccc1F |r,wU:13.16,wD:11.11,(61.71,-45.23,;62.85,-46.26,;62.53,-47.77,;63.69,-48.8,;65.14,-48.32,;65.46,-46.82,;64.32,-45.78,;66.92,-46.34,;67.39,-44.88,;68.93,-44.88,;69.41,-46.34,;70.88,-46.82,;71.57,-48.2,;72.95,-47.5,;72.25,-46.12,;74.41,-47.97,;75.55,-46.94,;75.23,-45.44,;77.02,-47.42,;78.15,-46.39,;79.61,-46.86,;79.94,-48.37,;78.79,-49.4,;77.34,-48.92,;68.16,-47.25,;68.17,-48.78,;66.83,-49.55,;66.83,-51.09,;68.17,-51.86,;69.5,-51.08,;69.5,-49.55,;70.83,-48.77,)| Show InChI InChI=1S/C24H21FN6O/c1-15-7-6-10-19(27-15)23-30-29-22(31(23)21-11-3-2-8-18(21)25)16-13-17(14-16)28-24(32)20-9-4-5-12-26-20/h2-12,16-17H,13-14H2,1H3,(H,28,32)/t16-,17-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	37	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))	BDBM50541705 (CHEMBL4641728) Show SMILES Cc1cccc(n1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccn2)n1-c1ccccc1F |r,wU:13.16,wD:11.11,(61.71,-45.23,;62.85,-46.26,;62.53,-47.77,;63.69,-48.8,;65.14,-48.32,;65.46,-46.82,;64.32,-45.78,;66.92,-46.34,;67.39,-44.88,;68.93,-44.88,;69.41,-46.34,;70.88,-46.82,;71.57,-48.2,;72.95,-47.5,;72.25,-46.12,;74.41,-47.97,;75.55,-46.94,;75.23,-45.44,;77.02,-47.42,;78.15,-46.39,;79.61,-46.86,;79.94,-48.37,;78.79,-49.4,;77.34,-48.92,;68.16,-47.25,;68.17,-48.78,;66.83,-49.55,;66.83,-51.09,;68.17,-51.86,;69.5,-51.08,;69.5,-49.55,;70.83,-48.77,)| Show InChI InChI=1S/C24H21FN6O/c1-15-7-6-10-19(27-15)23-30-29-22(31(23)21-11-3-2-8-18(21)25)16-13-17(14-16)28-24(32)20-9-4-5-12-26-20/h2-12,16-17H,13-14H2,1H3,(H,28,32)/t16-,17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	16	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