BDBM50541707 CHEMBL4638483

SMILES: Cc1cccc(n1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cccnc23)n1-c1ccccc1F

InChI Key: InChIKey=IQJONQOJCNHAQX-IYARVYRRSA-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 = 50541707   

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))	BDBM50541707 (CHEMBL4638483) Show SMILES Cc1cccc(n1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cccnc23)n1-c1ccccc1F |r,wU:13.16,wD:11.11,(30.75,-2.43,;31.9,-3.46,;31.58,-4.97,;32.74,-6,;34.2,-5.52,;34.51,-4.02,;33.36,-2.98,;35.97,-3.55,;36.44,-2.08,;37.99,-2.08,;38.46,-3.55,;39.93,-4.02,;40.63,-5.4,;42,-4.7,;41.3,-3.33,;43.47,-5.18,;44.61,-4.15,;44.29,-2.64,;46.07,-4.62,;47.21,-3.59,;48.67,-4.06,;49,-5.57,;47.86,-6.61,;48.18,-8.1,;47.04,-9.13,;45.58,-8.66,;45.26,-7.16,;46.4,-6.13,;37.22,-4.45,;37.22,-5.99,;35.88,-6.76,;35.88,-8.3,;37.22,-9.07,;38.55,-8.29,;38.55,-6.76,;39.88,-5.98,)| Show InChI InChI=1S/C27H22FN7O/c1-16-6-4-8-22(31-16)26-34-33-25(35(26)23-10-3-2-7-20(23)28)17-14-18(15-17)32-27(36)19-11-13-29-21-9-5-12-30-24(19)21/h2-13,17-18H,14-15H2,1H3,(H,32,36)/t17-,18-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.60	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))	BDBM50541707 (CHEMBL4638483) Show SMILES Cc1cccc(n1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cccnc23)n1-c1ccccc1F |r,wU:13.16,wD:11.11,(30.75,-2.43,;31.9,-3.46,;31.58,-4.97,;32.74,-6,;34.2,-5.52,;34.51,-4.02,;33.36,-2.98,;35.97,-3.55,;36.44,-2.08,;37.99,-2.08,;38.46,-3.55,;39.93,-4.02,;40.63,-5.4,;42,-4.7,;41.3,-3.33,;43.47,-5.18,;44.61,-4.15,;44.29,-2.64,;46.07,-4.62,;47.21,-3.59,;48.67,-4.06,;49,-5.57,;47.86,-6.61,;48.18,-8.1,;47.04,-9.13,;45.58,-8.66,;45.26,-7.16,;46.4,-6.13,;37.22,-4.45,;37.22,-5.99,;35.88,-6.76,;35.88,-8.3,;37.22,-9.07,;38.55,-8.29,;38.55,-6.76,;39.88,-5.98,)| Show InChI InChI=1S/C27H22FN7O/c1-16-6-4-8-22(31-16)26-34-33-25(35(26)23-10-3-2-7-20(23)28)17-14-18(15-17)32-27(36)19-11-13-29-21-9-5-12-30-24(19)21/h2-13,17-18H,14-15H2,1H3,(H,32,36)/t17-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.20	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