BDBM50541713 CHEMBL4638887

SMILES: Cn1c2cc(ccc2n([C@H]2C[C@@H](C2)c2nnc(-c3ccncn3)n2-c2ccccc2Cl)c1=O)C#N

InChI Key: InChIKey=KBJDIRAJFGATGU-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 = 50541713   

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))	BDBM50541713 (CHEMBL4638887) Show SMILES Cn1c2cc(ccc2n([C@H]2C[C@@H](C2)c2nnc(-c3ccncn3)n2-c2ccccc2Cl)c1=O)C#N |r,wU:9.9,wD:11.14,(75.94,-33.54,;74.47,-34.03,;74,-35.49,;74.76,-36.82,;74.01,-38.14,;72.46,-38.15,;71.69,-36.82,;72.46,-35.49,;71.97,-34.04,;70.5,-33.55,;69.13,-34.26,;68.43,-32.88,;69.81,-32.19,;66.97,-32.4,;66.49,-30.94,;64.95,-30.94,;64.47,-32.4,;63.01,-32.88,;62.69,-34.38,;61.23,-34.86,;60.07,-33.83,;60.4,-32.32,;61.87,-31.84,;65.72,-33.31,;65.72,-34.84,;64.38,-35.62,;64.38,-37.16,;65.72,-37.93,;67.06,-37.15,;67.05,-35.61,;68.39,-34.83,;73.22,-33.12,;73.22,-31.57,;74.78,-39.47,;75.56,-40.81,)| Show InChI InChI=1S/C25H19ClN8O/c1-32-22-10-15(13-27)6-7-21(22)33(25(32)35)17-11-16(12-17)23-30-31-24(19-8-9-28-14-29-19)34(23)20-5-3-2-4-18(20)26/h2-10,14,16-17H,11-12H2,1H3/t16-,17-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	116	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))	BDBM50541713 (CHEMBL4638887) Show SMILES Cn1c2cc(ccc2n([C@H]2C[C@@H](C2)c2nnc(-c3ccncn3)n2-c2ccccc2Cl)c1=O)C#N |r,wU:9.9,wD:11.14,(75.94,-33.54,;74.47,-34.03,;74,-35.49,;74.76,-36.82,;74.01,-38.14,;72.46,-38.15,;71.69,-36.82,;72.46,-35.49,;71.97,-34.04,;70.5,-33.55,;69.13,-34.26,;68.43,-32.88,;69.81,-32.19,;66.97,-32.4,;66.49,-30.94,;64.95,-30.94,;64.47,-32.4,;63.01,-32.88,;62.69,-34.38,;61.23,-34.86,;60.07,-33.83,;60.4,-32.32,;61.87,-31.84,;65.72,-33.31,;65.72,-34.84,;64.38,-35.62,;64.38,-37.16,;65.72,-37.93,;67.06,-37.15,;67.05,-35.61,;68.39,-34.83,;73.22,-33.12,;73.22,-31.57,;74.78,-39.47,;75.56,-40.81,)| Show InChI InChI=1S/C25H19ClN8O/c1-32-22-10-15(13-27)6-7-21(22)33(25(32)35)17-11-16(12-17)23-30-31-24(19-8-9-28-14-29-19)34(23)20-5-3-2-4-18(20)26/h2-10,14,16-17H,11-12H2,1H3/t16-,17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	34	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