BDBM50541712 CHEMBL4640917

SMILES: FC(F)Oc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cc(F)cnc23)n1-c1ccccc1F

InChI Key: InChIKey=DYMJRWLCTOEALR-KOMQPUFPSA-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 = 50541712   

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))	BDBM50541712 (CHEMBL4640917) Show SMILES FC(F)Oc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cc(F)cnc23)n1-c1ccccc1F |r,wU:16.19,wD:14.14,(3.21,-31.82,;2.9,-33.33,;1.43,-33.8,;4.05,-34.35,;5.51,-33.88,;6.66,-34.91,;8.12,-34.43,;8.45,-32.92,;7.3,-31.89,;5.83,-32.37,;9.91,-32.45,;10.38,-30.99,;11.92,-30.99,;12.39,-32.45,;13.86,-32.93,;14.56,-34.31,;15.93,-33.61,;15.23,-32.24,;17.4,-34.08,;18.54,-33.05,;18.23,-31.55,;20.01,-33.53,;21.15,-32.5,;22.61,-32.96,;22.94,-34.48,;21.79,-35.51,;22.11,-37.01,;20.98,-38.04,;21.31,-39.54,;19.51,-37.56,;19.19,-36.06,;20.33,-35.04,;11.15,-33.36,;11.15,-34.9,;9.81,-35.66,;9.81,-37.2,;11.15,-37.98,;12.49,-37.2,;12.48,-35.66,;13.82,-34.89,)| Show InChI InChI=1S/C27H19F4N7O2/c28-15-11-21-23(34-12-15)18(7-8-32-21)26(39)35-16-9-14(10-16)24-36-37-25(38(24)22-4-2-1-3-19(22)29)20-6-5-17(13-33-20)40-27(30)31/h1-8,11-14,16,27H,9-10H2,(H,35,39)/t14-,16-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.5	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))	BDBM50541712 (CHEMBL4640917) Show SMILES FC(F)Oc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cc(F)cnc23)n1-c1ccccc1F |r,wU:16.19,wD:14.14,(3.21,-31.82,;2.9,-33.33,;1.43,-33.8,;4.05,-34.35,;5.51,-33.88,;6.66,-34.91,;8.12,-34.43,;8.45,-32.92,;7.3,-31.89,;5.83,-32.37,;9.91,-32.45,;10.38,-30.99,;11.92,-30.99,;12.39,-32.45,;13.86,-32.93,;14.56,-34.31,;15.93,-33.61,;15.23,-32.24,;17.4,-34.08,;18.54,-33.05,;18.23,-31.55,;20.01,-33.53,;21.15,-32.5,;22.61,-32.96,;22.94,-34.48,;21.79,-35.51,;22.11,-37.01,;20.98,-38.04,;21.31,-39.54,;19.51,-37.56,;19.19,-36.06,;20.33,-35.04,;11.15,-33.36,;11.15,-34.9,;9.81,-35.66,;9.81,-37.2,;11.15,-37.98,;12.49,-37.2,;12.48,-35.66,;13.82,-34.89,)| Show InChI InChI=1S/C27H19F4N7O2/c28-15-11-21-23(34-12-15)18(7-8-32-21)26(39)35-16-9-14(10-16)24-36-37-25(38(24)22-4-2-1-3-19(22)29)20-6-5-17(13-33-20)40-27(30)31/h1-8,11-14,16,27H,9-10H2,(H,35,39)/t14-,16-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2	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