BindingDB PrimarySearch

BDBM50234916 CHEMBL4098188

SMILES: O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(cc1)C(=O)Nc1cccc2cccnc12

InChI Key: InChIKey=HILQRGHXDPSDBM-UHFFFAOYSA-N

Data: 17 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50234916
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
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50234916 (CHEMBL4098188) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-GST-tagged TNKS2 (849 to 1166 residues) expressed in baculovirus infected Sf9 cells using biotinylated...				J Med Chem 60: 814-820 (2017) BindingDB Entry DOI: 10.7270/Q20R9RPP
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 10 (Homo sapiens (Human))	BDBM50234916 (CHEMBL4098188) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of PARP10 (unknown origin)				J Med Chem 60: 814-820 (2017) BindingDB Entry DOI: 10.7270/Q20R9RPP
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50234916 (CHEMBL4098188) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged TNKS1 (1001 to 1327 residues) expressed in baculovirus infected sf9 cells using TACS-Sapphire a...				J Med Chem 60: 814-820 (2017) BindingDB Entry DOI: 10.7270/Q20R9RPP
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 4 (Homo sapiens (Human))	BDBM50234916 (CHEMBL4098188) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of PARP4 (unknown origin)				J Med Chem 60: 814-820 (2017) BindingDB Entry DOI: 10.7270/Q20R9RPP
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50234916 (CHEMBL4098188) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	6.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 cells measured after 1 hr by ch...				J Med Chem 60: 814-820 (2017) BindingDB Entry DOI: 10.7270/Q20R9RPP
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50234916 (CHEMBL4098188) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	8.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PARP1 expressed in Baculovirus infected Sf9 cells using TACS-Sapphire as substrate ...				J Med Chem 60: 814-820 (2017) BindingDB Entry DOI: 10.7270/Q20R9RPP
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50234916 (CHEMBL4098188) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 cells measured after 1 hr by ch...				J Med Chem 60: 814-820 (2017) BindingDB Entry DOI: 10.7270/Q20R9RPP
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 14 (Homo sapiens (Human))	BDBM50234916 (CHEMBL4098188) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of PARP14 (unknown origin)				J Med Chem 60: 814-820 (2017) BindingDB Entry DOI: 10.7270/Q20R9RPP
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 12 (Homo sapiens (Human))	BDBM50234916 (CHEMBL4098188) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of PARP12 (unknown origin)				J Med Chem 60: 814-820 (2017) BindingDB Entry DOI: 10.7270/Q20R9RPP
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50234916 (CHEMBL4098188) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	0.204	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-GST-tagged TNKS2 (849 to 1166 residues) expressed in baculovirus infected Sf9 cells using biotinylated...				J Med Chem 60: 814-820 (2017) BindingDB Entry DOI: 10.7270/Q20R9RPP
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP3 (Homo sapiens (Human))	BDBM50234916 (CHEMBL4098188) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of PARP3 (unknown origin)				J Med Chem 60: 814-820 (2017) BindingDB Entry DOI: 10.7270/Q20R9RPP
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50234916 (CHEMBL4098188) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PARP1 expressed in Baculovirus infected Sf9 cells using TACS-Sapphire as substrate ...				J Med Chem 60: 814-820 (2017) BindingDB Entry DOI: 10.7270/Q20R9RPP
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50234916 (CHEMBL4098188) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged TNKS1 (1001 to 1327 residues) expressed in baculovirus infected sf9 cells using TACS-Sapphire a...				J Med Chem 60: 814-820 (2017) BindingDB Entry DOI: 10.7270/Q20R9RPP
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 4 (Homo sapiens (Human))	BDBM50234916 (CHEMBL4098188) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	6.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of PARP4 (unknown origin)				J Med Chem 60: 814-820 (2017) BindingDB Entry DOI: 10.7270/Q20R9RPP
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 (Homo sapiens (Human))	BDBM50234916 (CHEMBL4098188) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of PARP3 (unknown origin)				J Med Chem 60: 814-820 (2017) BindingDB Entry DOI: 10.7270/Q20R9RPP
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair
Mono [ADP-ribose] polymerase PARP16 (Homo sapiens (Human))	BDBM50234916 (CHEMBL4098188) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of PARP16 (unknown origin)				J Med Chem 60: 814-820 (2017) BindingDB Entry DOI: 10.7270/Q20R9RPP
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 15 (Homo sapiens (Human))	BDBM50234916 (CHEMBL4098188) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of PARP15 (unknown origin)				J Med Chem 60: 814-820 (2017) BindingDB Entry DOI: 10.7270/Q20R9RPP
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair