BDBM50238425 CHEMBL4064332

SMILES: CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1

InChI Key: InChIKey=AGAFBFBLFFSDKG-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50238425   

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 10 (Homo sapiens (Human))	BDBM50238425 (CHEMBL4064332) Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C17H16N6/c1-11(2)12-7-9-13(10-8-12)18-16-17-20-21-22-23(17)15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
A GlaxoSmithKline Company Curated by ChEMBL					Assay Description Binding affinity to PARP10 in human Jurkat cell extract after 45 mins by mass spectrometric analysis				J Med Chem 60: 5455-5471 (2017) Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50238425 (CHEMBL4064332) Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C17H16N6/c1-11(2)12-7-9-13(10-8-12)18-16-17-20-21-22-23(17)15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,18,19)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
A GlaxoSmithKline Company Curated by ChEMBL					Assay Description Binding affinity to PARP1 in human Jurkat cell extract after 45 mins by mass spectrometric analysis				J Med Chem 60: 5455-5471 (2017) Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 4 (Homo sapiens (Human))	BDBM50238425 (CHEMBL4064332) Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C17H16N6/c1-11(2)12-7-9-13(10-8-12)18-16-17-20-21-22-23(17)15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,18,19)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
A GlaxoSmithKline Company Curated by ChEMBL					Assay Description Binding affinity to PARP4 in human Jurkat cell extract after 45 mins by mass spectrometric analysis				J Med Chem 60: 5455-5471 (2017) Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 11 (Homo sapiens)	BDBM50238425 (CHEMBL4064332) Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C17H16N6/c1-11(2)12-7-9-13(10-8-12)18-16-17-20-21-22-23(17)15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
A GlaxoSmithKline Company Curated by ChEMBL					Assay Description Binding affinity to PARP11 in human Jurkat cell extract after 45 mins by mass spectrometric analysis				J Med Chem 60: 5455-5471 (2017) Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 14 (Homo sapiens (Human))	BDBM50238425 (CHEMBL4064332) Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C17H16N6/c1-11(2)12-7-9-13(10-8-12)18-16-17-20-21-22-23(17)15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
A GlaxoSmithKline Company Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Leucine aminopeptidase and the inhibition constant was determined after preincubating the enzyme and inh...				J Med Chem 60: 5455-5471 (2017) Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50238425 (CHEMBL4064332) Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C17H16N6/c1-11(2)12-7-9-13(10-8-12)18-16-17-20-21-22-23(17)15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
A GlaxoSmithKline Company Curated by ChEMBL					Assay Description Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay				J Med Chem 60: 5455-5471 (2017) Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50238425 (CHEMBL4064332) Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C17H16N6/c1-11(2)12-7-9-13(10-8-12)18-16-17-20-21-22-23(17)15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
A GlaxoSmithKline Company Curated by ChEMBL					Assay Description Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced...				J Med Chem 60: 5455-5471 (2017) Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50238425 (CHEMBL4064332) Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C17H16N6/c1-11(2)12-7-9-13(10-8-12)18-16-17-20-21-22-23(17)15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
A GlaxoSmithKline Company Curated by ChEMBL					Assay Description Binding affinity to PARP2 in human Jurkat cell extract after 45 mins by mass spectrometric analysis				J Med Chem 60: 5455-5471 (2017) Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS
					More data for this Ligand-Target Pair
Mono [ADP-ribose] polymerase PARP16 (Homo sapiens (Human))	BDBM50238425 (CHEMBL4064332) Show SMILES CC(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C17H16N6/c1-11(2)12-7-9-13(10-8-12)18-16-17-20-21-22-23(17)15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
A GlaxoSmithKline Company Curated by ChEMBL					Assay Description Binding affinity to PARP16 in human Jurkat cell extract after 45 mins by mass spectrometric analysis				J Med Chem 60: 5455-5471 (2017) Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS
					More data for this Ligand-Target Pair