BDBM27502 3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoquinolinone::5-[4-(piperidin-1-yl)butoxy]-1,2,3,4-tetrahydroisoquinolin-1-one::CHEMBL127336::DPQ

SMILES: O=C1NCCc2c(OCCCCN3CCCCC3)cccc12

InChI Key: InChIKey=RVOUDNBEIXGHJY-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

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 5 hits for monomerid = 27502   

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 1 (Homo sapiens (Human))	BDBM27502 (3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoq...) Show SMILES O=C1NCCc2c(OCCCCN3CCCCC3)cccc12 Show InChI InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	372	n/a	n/a	n/a	n/a	7.8	22
University of Konstanz					Assay Description The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...				Mol Pharmacol 74: 1587-98 (2008) Article DOI: 10.1124/mol.108.048751 BindingDB Entry DOI: 10.7270/Q2M61HKG
					More data for this Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2) (Mus musculus (Mouse))	BDBM27502 (3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoq...) Show SMILES O=C1NCCc2c(OCCCCN3CCCCC3)cccc12 Show InChI InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a	7.8	22
University of Konstanz					Assay Description The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...				Mol Pharmacol 74: 1587-98 (2008) Article DOI: 10.1124/mol.108.048751 BindingDB Entry DOI: 10.7270/Q2M61HKG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 2 (Homo sapiens (Human))	BDBM27502 (3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoq...) Show SMILES O=C1NCCc2c(OCCCCN3CCCCC3)cccc12 Show InChI InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Queen's Center for Biomedical REsearch Curated by ChEMBL					Assay Description Concentration required to achieve 50% inhibition against 4-hydroxyphenylpyruvate dioxygenase from pig liver; (observed value)				J Nat Prod 80: 2741-2750 (2017) Article DOI: 10.1021/acs.jnatprod.7b00515 BindingDB Entry DOI: 10.7270/Q2GH9MHQ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27502 (3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoq...) Show SMILES O=C1NCCc2c(OCCCCN3CCCCC3)cccc12 Show InChI InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sookmyung Women's University Curated by ChEMBL					Assay Description Inhibition of PARP1				Bioorg Med Chem 17: 7537-41 (2009) Article DOI: 10.1016/j.bmc.2009.09.014 BindingDB Entry DOI: 10.7270/Q2M32VVJ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27502 (3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoq...) Show SMILES O=C1NCCc2c(OCCCCN3CCCCC3)cccc12 Show InChI InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Pondicherry University Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin) in presence of NAD+ by homogenous fluorescence plate assay				Bioorg Med Chem 23: 488-98 (2015) Article DOI: 10.1016/j.bmc.2014.12.017 BindingDB Entry DOI: 10.7270/Q2BV7J9N
					More data for this Ligand-Target Pair