BindingDB PrimarySearch

BDBM50505333 CHEMBL4437173

SMILES: CC(C)(O)c1ccc(cc1)-c1nc2c(F)cc(F)cc2c(=O)[nH]1

InChI Key: InChIKey=FHBYLOWAINBPRJ-UHFFFAOYSA-N

Data: 15 IC50 2 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50505333
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 mono-ADP-ribosyltransferase PARP10 (Homo sapiens (Human))	BDBM50505333 (CHEMBL4437173) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of human N-terminal FLAG-tagged/C-terminal Strep-tagged PARP10 (805 to 1025 residues) expressed in baculovirus infected Sf9 insect cells u...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656
Merck Healthcare KGaA Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50505333 (CHEMBL4437173) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	782	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length Myc/His-tagged Parp-1 expressed in baculovirus infected Sf21 insect cells assessed as reduction in auto-P...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656
Merck Healthcare KGaA Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50505333 (CHEMBL4437173) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human PARP2 (2 to 583 residues) expressed in Baculovirus infected Sf9 cells using biotinylated substr...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656
Merck Healthcare KGaA Curated by ChEMBL					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP6 (Homo sapiens (Human))	BDBM50505333 (CHEMBL4437173) Show SMILES Show InChI	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human full length PARP6 expressed in Baculovirus infected Sf9 cells using biotinylated substrate afte...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656
Merck Healthcare KGaA Curated by ChEMBL					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase TIPARP (Human)	BDBM50505333 (CHEMBL4437173) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged recombinant human PARP7 (400 to 657 residues) expressed in Baculovirus infected Sf9 cells using biotinylated sub...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656
Merck Healthcare KGaA Curated by ChEMBL					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP11 (Homo sapiens)	BDBM50505333 (CHEMBL4437173) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP11 (8 to 338 residues) expressed in baculovirus infected Sf9 insect cells using biotinylated substrate ...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656
Merck Healthcare KGaA Curated by ChEMBL					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP12 (Homo sapiens (Human))	BDBM50505333 (CHEMBL4437173) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of human N-terminal His/GST-tagged PARP12 (500 to 701 residues) expressed in baculovirus infected Sf9 insect cells using biotinylated subs...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656
Merck Healthcare KGaA Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50505333 (CHEMBL4437173) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human TNKS1 (1001 to 1327 end residues) expressed in Baculovirus infected Sf9 cells using biotinylate...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656
Merck Healthcare KGaA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50505333 (CHEMBL4437173) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human TNKS2 (667 to 1166 end residues) expressed in baculovirus infected sf9 cells using biotinylated substrate ...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656
Merck Healthcare KGaA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP3 (Homo sapiens (Human))	BDBM50505333 (CHEMBL4437173) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant full length human PARP3 expressed in Baculovirus infected Sf9 cells using biotinylated substrate afte...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656
Merck Healthcare KGaA Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50505333 (CHEMBL4437173) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	319	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of tankyrase 1/2 in human DLD1 cells assessed as increase in axin2 accumulation incubated for 24 hrs by luminex based bead assay				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656
Merck Healthcare KGaA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50505333 (CHEMBL4437173) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of GST tagged-TEV cleavage site-fused human recombinant TNKS1 (1023 to 1327 residues) expressed in baculovirus infected sf9 cells assessed...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656
Merck Healthcare KGaA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP8 (Homo sapiens)	BDBM50505333 (CHEMBL4437173) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of human recombinant PARP8 by chemiluminescence method				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656
Merck Healthcare KGaA Curated by ChEMBL					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP15 (Homo sapiens (Human))	BDBM50505333 (CHEMBL4437173) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP15 (221 to 444 residues) expressed in Escherichia coli using biotinylated substrate by chemiluminescenc...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656
Merck Healthcare KGaA Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50505333 (CHEMBL4437173) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of tankyrase 1/2 mediated auto-PARsylation in human DLD1 cells assessed as increase in tankyrase accumulation incubated for 24 hrs by lumi...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656
Merck Healthcare KGaA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50505333 (CHEMBL4437173) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant full length human PARP1 expressed in Baculovirus infected Sf9 cells using biotinylated substrate afte...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656
Merck Healthcare KGaA Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50505333 (CHEMBL4437173) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of GST tagged-TEV cleavage site-fused human recombinant TNKS2 (873 to 1166 residues) expressed in baculovirus infected sf9 cells assessed ...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656
Merck Healthcare KGaA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)