BDBM50439798 CHEMBL2419699::US9181266, 38

SMILES: Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2ccccc2)Cc2nc3CCOCc3c(=O)[nH]2)CC1

InChI Key: InChIKey=JDRRUNIVJVAXBH-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50439798   

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-1 (Homo sapiens (Human))	BDBM50439798 (CHEMBL2419699 | US9181266, 38) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2ccccc2)Cc2nc3CCOCc3c(=O)[nH]2)CC1 Show InChI InChI=1S/C29H31FN4O4/c30-23-8-6-21(7-9-23)28(36)22-10-13-33(14-11-22)18-27(35)34(16-20-4-2-1-3-5-20)17-26-31-25-12-15-38-19-24(25)29(37)32-26/h1-9,22H,10-19H2,(H,31,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...				US Patent US9181266 (2015) BindingDB Entry DOI: 10.7270/Q20P0XTF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50439798 (CHEMBL2419699 | US9181266, 38) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2ccccc2)Cc2nc3CCOCc3c(=O)[nH]2)CC1 Show InChI InChI=1S/C29H31FN4O4/c30-23-8-6-21(7-9-23)28(36)22-10-13-33(14-11-22)18-27(35)34(16-20-4-2-1-3-5-20)17-26-31-25-12-15-38-19-24(25)29(37)32-26/h1-9,22H,10-19H2,(H,31,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...				US Patent US9181266 (2015) BindingDB Entry DOI: 10.7270/Q20P0XTF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50439798 (CHEMBL2419699 | US9181266, 38) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2ccccc2)Cc2nc3CCOCc3c(=O)[nH]2)CC1 Show InChI InChI=1S/C29H31FN4O4/c30-23-8-6-21(7-9-23)28(36)22-10-13-33(14-11-22)18-27(35)34(16-20-4-2-1-3-5-20)17-26-31-25-12-15-38-19-24(25)29(37)32-26/h1-9,22H,10-19H2,(H,31,32,37)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.90E+4	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...				US Patent US9181266 (2015) BindingDB Entry DOI: 10.7270/Q20P0XTF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50439798 (CHEMBL2419699 | US9181266, 38) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2ccccc2)Cc2nc3CCOCc3c(=O)[nH]2)CC1 Show InChI InChI=1S/C29H31FN4O4/c30-23-8-6-21(7-9-23)28(36)22-10-13-33(14-11-22)18-27(35)34(16-20-4-2-1-3-5-20)17-26-31-25-12-15-38-19-24(25)29(37)32-26/h1-9,22H,10-19H2,(H,31,32,37)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis				J Med Chem 56: 6495-511 (2013) Article DOI: 10.1021/jm400807n BindingDB Entry DOI: 10.7270/Q24Q7WFB
					More data for this Ligand-Target Pair
Protein Wnt-3a (Homo sapiens (Human))	BDBM50439798 (CHEMBL2419699 | US9181266, 38) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2ccccc2)Cc2nc3CCOCc3c(=O)[nH]2)CC1 Show InChI InChI=1S/C29H31FN4O4/c30-23-8-6-21(7-9-23)28(36)22-10-13-33(14-11-22)18-27(35)34(16-20-4-2-1-3-5-20)17-26-31-25-12-15-38-19-24(25)29(37)32-26/h1-9,22H,10-19H2,(H,31,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin				J Med Chem 56: 6495-511 (2013) Article DOI: 10.1021/jm400807n BindingDB Entry DOI: 10.7270/Q24Q7WFB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50439798 (CHEMBL2419699 | US9181266, 38) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2ccccc2)Cc2nc3CCOCc3c(=O)[nH]2)CC1 Show InChI InChI=1S/C29H31FN4O4/c30-23-8-6-21(7-9-23)28(36)22-10-13-33(14-11-22)18-27(35)34(16-20-4-2-1-3-5-20)17-26-31-25-12-15-38-19-24(25)29(37)32-26/h1-9,22H,10-19H2,(H,31,32,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PARP2 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis				J Med Chem 56: 6495-511 (2013) Article DOI: 10.1021/jm400807n BindingDB Entry DOI: 10.7270/Q24Q7WFB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50439798 (CHEMBL2419699 | US9181266, 38) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2ccccc2)Cc2nc3CCOCc3c(=O)[nH]2)CC1 Show InChI InChI=1S/C29H31FN4O4/c30-23-8-6-21(7-9-23)28(36)22-10-13-33(14-11-22)18-27(35)34(16-20-4-2-1-3-5-20)17-26-31-25-12-15-38-19-24(25)29(37)32-26/h1-9,22H,10-19H2,(H,31,32,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.90E+4	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...				US Patent US9181266 (2015) BindingDB Entry DOI: 10.7270/Q20P0XTF
					More data for this Ligand-Target Pair