BDBM50250879 CHEMBL4064869

SMILES: Clc1ccccc1-n1c(nnc1-c1ccncn1)-c1ccc(cc1)-n1c2ccc(cc2[nH]c1=O)C#N

InChI Key: InChIKey=GQOVEMXVWLBEGU-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50250879   

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-2 (Homo sapiens (Human))	BDBM50250879 (CHEMBL4064869) Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)-c1ccc(cc1)-n1c2ccc(cc2[nH]c1=O)C#N |(25.56,-15.85,;24.02,-16.05,;23.44,-17.48,;21.9,-17.68,;20.97,-16.43,;21.57,-15.02,;23.09,-14.83,;23.69,-13.41,;25.18,-13,;25.24,-11.47,;23.79,-10.94,;22.84,-12.13,;21.3,-12.13,;20.53,-13.46,;18.98,-13.46,;18.21,-12.13,;18.98,-10.8,;20.53,-10.8,;26.43,-13.89,;26.28,-15.43,;27.54,-16.32,;28.94,-15.68,;29.08,-14.14,;27.83,-13.24,;30.18,-16.57,;30.27,-18.1,;29.18,-19.2,;29.57,-20.66,;31.07,-21.07,;32.15,-19.99,;31.75,-18.5,;32.58,-17.2,;31.62,-16.02,;32.03,-14.53,;31.48,-22.56,;31.89,-24.06,)| Show InChI InChI=1S/C26H15ClN8O/c27-19-3-1-2-4-22(19)35-24(32-33-25(35)20-11-12-29-15-30-20)17-6-8-18(9-7-17)34-23-10-5-16(14-28)13-21(23)31-26(34)36/h1-13,15H,(H,31,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP) Curated by ChEMBL					Assay Description Inhibition of TNKS2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Wnt3a-induced Wnt/beta-catenin signaling after 24 hrs by luc...				J Med Chem 60: 10013-10025 (2017) Article DOI: 10.1021/acs.jmedchem.7b00883 BindingDB Entry DOI: 10.7270/Q2CJ8GXG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50250879 (CHEMBL4064869) Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)-c1ccc(cc1)-n1c2ccc(cc2[nH]c1=O)C#N |(25.56,-15.85,;24.02,-16.05,;23.44,-17.48,;21.9,-17.68,;20.97,-16.43,;21.57,-15.02,;23.09,-14.83,;23.69,-13.41,;25.18,-13,;25.24,-11.47,;23.79,-10.94,;22.84,-12.13,;21.3,-12.13,;20.53,-13.46,;18.98,-13.46,;18.21,-12.13,;18.98,-10.8,;20.53,-10.8,;26.43,-13.89,;26.28,-15.43,;27.54,-16.32,;28.94,-15.68,;29.08,-14.14,;27.83,-13.24,;30.18,-16.57,;30.27,-18.1,;29.18,-19.2,;29.57,-20.66,;31.07,-21.07,;32.15,-19.99,;31.75,-18.5,;32.58,-17.2,;31.62,-16.02,;32.03,-14.53,;31.48,-22.56,;31.89,-24.06,)| Show InChI InChI=1S/C26H15ClN8O/c27-19-3-1-2-4-22(19)35-24(32-33-25(35)20-11-12-29-15-30-20)17-6-8-18(9-7-17)34-23-10-5-16(14-28)13-21(23)31-26(34)36/h1-13,15H,(H,31,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP) Curated by ChEMBL					Assay Description Inhibition of human TNKS2 (873 to 1162 residues) assessed as reduction in NAD+ consumption by fluorescence assay				J Med Chem 60: 10013-10025 (2017) Article DOI: 10.1021/acs.jmedchem.7b00883 BindingDB Entry DOI: 10.7270/Q2CJ8GXG
					More data for this Ligand-Target Pair				3D Structure (crystal)