BDBM50541706 CHEMBL4639146

SMILES: Cc1cccc(n1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccc(F)cn2)n1-c1ccccc1F

InChI Key: InChIKey=BVKOWESRQTZUCM-JCNLHEQBSA-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 = 50541706   

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))	BDBM50541706 (CHEMBL4639146) Show SMILES Cc1cccc(n1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccc(F)cn2)n1-c1ccccc1F |r,wU:13.16,wD:11.11,(3.03,-2.98,;4.17,-4.01,;3.84,-5.52,;5,-6.55,;6.46,-6.07,;6.78,-4.57,;5.64,-3.53,;8.23,-4.1,;8.72,-2.63,;10.26,-2.63,;10.73,-4.1,;12.19,-4.57,;12.89,-5.95,;14.26,-5.25,;13.57,-3.88,;15.73,-5.73,;16.88,-4.69,;16.56,-3.19,;18.34,-5.17,;19.48,-4.14,;20.94,-4.61,;21.26,-6.12,;22.73,-6.59,;20.12,-7.16,;18.66,-6.67,;9.48,-5,;9.49,-6.53,;8.15,-7.31,;8.15,-8.85,;9.48,-9.61,;10.82,-8.84,;10.82,-7.3,;12.15,-6.53,)| Show InChI InChI=1S/C24H20F2N6O/c1-14-5-4-7-19(28-14)23-31-30-22(32(23)21-8-3-2-6-18(21)26)15-11-17(12-15)29-24(33)20-10-9-16(25)13-27-20/h2-10,13,15,17H,11-12H2,1H3,(H,29,33)/t15-,17-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	25	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))	BDBM50541706 (CHEMBL4639146) Show SMILES Cc1cccc(n1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccc(F)cn2)n1-c1ccccc1F |r,wU:13.16,wD:11.11,(3.03,-2.98,;4.17,-4.01,;3.84,-5.52,;5,-6.55,;6.46,-6.07,;6.78,-4.57,;5.64,-3.53,;8.23,-4.1,;8.72,-2.63,;10.26,-2.63,;10.73,-4.1,;12.19,-4.57,;12.89,-5.95,;14.26,-5.25,;13.57,-3.88,;15.73,-5.73,;16.88,-4.69,;16.56,-3.19,;18.34,-5.17,;19.48,-4.14,;20.94,-4.61,;21.26,-6.12,;22.73,-6.59,;20.12,-7.16,;18.66,-6.67,;9.48,-5,;9.49,-6.53,;8.15,-7.31,;8.15,-8.85,;9.48,-9.61,;10.82,-8.84,;10.82,-7.3,;12.15,-6.53,)| Show InChI InChI=1S/C24H20F2N6O/c1-14-5-4-7-19(28-14)23-31-30-22(32(23)21-8-3-2-6-18(21)26)15-11-17(12-15)29-24(33)20-10-9-16(25)13-27-20/h2-10,13,15,17H,11-12H2,1H3,(H,29,33)/t15-,17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	21	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