BindingDB PrimarySearch

BDBM50294835 4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-N-methyl-N-quinolin-8-yl-benzamide::CHEMBL551505::CHEMBL562310::N-(Quinolin-8-yl)-4-(endo-4-aza-3,5-dioxotricyclo[5.2.1.02,6]oct-8-en-4-yl)benzamide, 1

SMILES: Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12

InChI Key: InChIKey=OGYSABKWWQZOIU-CALCHBBNSA-N

Data: 14 IC50 3 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50294835
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Protein Wnt (Mus musculus (Mouse))	BDBM50294835 (4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	7.4	4
University of Texas Southwestern Medical Center					Assay Description Inhibition assay of Wnt response treated with exogenously supplied of Wnt protein ('exogenous Wnt' test)				Nat Chem Biol 5: 100-7 (2009) Article DOI: 10.1038/nchembio.137 BindingDB Entry DOI: 10.7270/Q2HX1B20
University of Texas Southwestern Medical Center					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50294835 (4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Curated by ChEMBL					Assay Description Inhibition of full length human N-terminal GST-tagged TNKS2 ADP-ART catalytic domain (1001 to 1327 residues) using histone H2A as substrate incubated...				ACS Med Chem Lett 11: 862-868 (2020)
University of Naples Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50294835 (4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin) using histone as substrate after 1 hr by luminescence assay				J Med Chem 56: 4320-42 (2013) Article DOI: 10.1021/jm4000038 BindingDB Entry DOI: 10.7270/Q2QF8V74
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50294835 (4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PARP2 (unknown origin) using histone as substrate after 1 hr by luminescence assay				J Med Chem 56: 4320-42 (2013) Article DOI: 10.1021/jm4000038 BindingDB Entry DOI: 10.7270/Q2QF8V74
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50294835 (4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PARP2 (unknown origin)				J Med Chem 56: 1341-5 (2013) Article DOI: 10.1021/jm301607v BindingDB Entry DOI: 10.7270/Q21N82DQ
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50294835 (4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human TNKS1 (1091 to 1325 amino acid residues) after 60 mins by autoparsylation assay				J Med Chem 56: 1341-5 (2013) Article DOI: 10.1021/jm301607v BindingDB Entry DOI: 10.7270/Q21N82DQ
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50294835 (4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human TNKS2 (946 to 1162 amino acid residues) after 60 mins by autoparsylation assay				J Med Chem 56: 1341-5 (2013) Article DOI: 10.1021/jm301607v BindingDB Entry DOI: 10.7270/Q21N82DQ
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50294835 (4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abo Akademi University Curated by ChEMBL					Assay Description Inhibition of PARP1				J Med Chem 55: 1360-7 (2012) Article DOI: 10.1021/jm201510p BindingDB Entry DOI: 10.7270/Q2WS8V8K
Abo Akademi University Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50294835 (4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Abo Akademi University Curated by ChEMBL					Assay Description Inhibition of TNKS1				J Med Chem 55: 1360-7 (2012) Article DOI: 10.1021/jm201510p BindingDB Entry DOI: 10.7270/Q2WS8V8K
Abo Akademi University Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50294835 (4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Abo Akademi University Curated by ChEMBL					Assay Description Inhibition of TNKS2				J Med Chem 55: 1360-7 (2012) Article DOI: 10.1021/jm201510p BindingDB Entry DOI: 10.7270/Q2WS8V8K
Abo Akademi University Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50294835 (4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Abo Akademi University Curated by ChEMBL					Assay Description Activity of N-terminus hexaHis-tagged human TNSK2 expressed in Escherichia coli BL21 (DE3) cells using biotinylated NAD+ as substrate after 90 mins b...				J Med Chem 55: 1360-7 (2012) Article DOI: 10.1021/jm201510p BindingDB Entry DOI: 10.7270/Q2WS8V8K
Abo Akademi University Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50294835 (4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
Abo Akademi University Curated by ChEMBL					Assay Description Activity of N-terminus hexaHis-tagged human TNSK2 expressed in Escherichia coli BL21 (DE3) cells using biotinylated NAD+ as substrate after 90 mins b...				J Med Chem 55: 1360-7 (2012) Article DOI: 10.1021/jm201510p BindingDB Entry DOI: 10.7270/Q2WS8V8K
Abo Akademi University Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50294835 (4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abo Akademi University Curated by ChEMBL					Assay Description Inhibition of human PARP1 using NAD+ as substrate after 90 mins by fluorescence analysis				J Med Chem 55: 1360-7 (2012) Article DOI: 10.1021/jm201510p BindingDB Entry DOI: 10.7270/Q2WS8V8K
Abo Akademi University Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50294835 (4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abo Akademi University Curated by ChEMBL					Assay Description Inhibition of human PARP2 using NAD+ as substrate after 90 mins by fluorescence analysis				J Med Chem 55: 1360-7 (2012) Article DOI: 10.1021/jm201510p BindingDB Entry DOI: 10.7270/Q2WS8V8K
Abo Akademi University Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50294835 (4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abo Akademi University Curated by ChEMBL					Assay Description Inhibition of PARP2				J Med Chem 55: 1360-7 (2012) Article DOI: 10.1021/jm201510p BindingDB Entry DOI: 10.7270/Q2WS8V8K
Abo Akademi University Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50294835 (4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	303	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Curated by ChEMBL					Assay Description Inhibition of full length human N-terminal GST-tagged TNKS1 ADP-ART catalytic domain (1001 to 1327 residues) using histone H2A as substrate incubated...				ACS Med Chem Lett 11: 862-868 (2020)
University of Naples Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene protein Wnt-3 (Homo sapiens (Human))	BDBM50294835 (4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
The University of Texas Southwestern Medical Center at Dallas Curated by ChEMBL					Assay Description Inhibition of Wnt3 expressed in mouse L-cells assessed as inhibition of Wnt/catanin signaling pathway by luciferase reporter gene assay				Bioorg Med Chem Lett 19: 3825-7 (2009) Article DOI: 10.1016/j.bmcl.2009.04.040 BindingDB Entry DOI: 10.7270/Q2DZ08BS
					More data for this Ligand-Target Pair