BDBM50339016 3,4-dihydroisoquinolin-1(2H)-one::CHEMBL1688212

SMILES: O=C1NCCc2ccccc12

InChI Key: InChIKey=YWPMKTWUFVOFPL-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50339016   

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))	BDBM50339016 (3,4-dihydroisoquinolin-1(2H)-one | CHEMBL1688212) Show SMILES O=C1NCCc2ccccc12 Show InChI InChI=1S/C9H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4H,5-6H2,(H,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Oregon Health& Science University Curated by ChEMBL					Assay Description Inhibition of PARP-10 (unknown origin) mediated ADP-ribosylation of SRPK2 by fluorescence analysis using 3 uM SRPK2 as a substrate				Bioorg Med Chem Lett 25: 4770-3 (2015) BindingDB Entry DOI: 10.7270/Q23R0VQW
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50339016 (3,4-dihydroisoquinolin-1(2H)-one | CHEMBL1688212) Show SMILES O=C1NCCc2ccccc12 Show InChI InChI=1S/C9H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4H,5-6H2,(H,10,11)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Oregon Health& Science University Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin) by fluorescence analysis				Bioorg Med Chem Lett 25: 4770-3 (2015) BindingDB Entry DOI: 10.7270/Q23R0VQW
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 10 (Homo sapiens (Human))	BDBM50339016 (3,4-dihydroisoquinolin-1(2H)-one | CHEMBL1688212) Show SMILES O=C1NCCc2ccccc12 Show InChI InChI=1S/C9H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4H,5-6H2,(H,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Oregon Health& Science University Curated by ChEMBL					Assay Description Inhibition of PARP-10 L926G mutant (unknown origin) mediated ADP-ribosylation of SRPK2 by fluorescence analysis using 3 uM SRPK2 as a substrate				Bioorg Med Chem Lett 25: 4770-3 (2015) BindingDB Entry DOI: 10.7270/Q23R0VQW
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 10 (Homo sapiens (Human))	BDBM50339016 (3,4-dihydroisoquinolin-1(2H)-one | CHEMBL1688212) Show SMILES O=C1NCCc2ccccc12 Show InChI InChI=1S/C9H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4H,5-6H2,(H,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.29E+5	n/a	n/a	n/a	n/a	n/a	n/a
Oregon Health& Science University Curated by ChEMBL					Assay Description Inhibition of PARP-10 L926G mutant (unknown origin) mediated ADP-ribosylation of SRPK2 by fluorescence analysis using 3 uM SRPK2 as a substrate				Bioorg Med Chem Lett 25: 4770-3 (2015) BindingDB Entry DOI: 10.7270/Q23R0VQW
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 10 (Homo sapiens (Human))	BDBM50339016 (3,4-dihydroisoquinolin-1(2H)-one | CHEMBL1688212) Show SMILES O=C1NCCc2ccccc12 Show InChI InChI=1S/C9H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4H,5-6H2,(H,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Oregon Health and Science University Curated by ChEMBL					Assay Description Inhibition of human PARP10 catalytic domain assessed as reduction in MARylation of His6-tagged SRPK2 substrate after 60 mins in presence of NAD+ by c...				ACS Med Chem Lett 10: 74-79 (2019) Article DOI: 10.1021/acsmedchemlett.8b00429
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 11 (Homo sapiens)	BDBM50339016 (3,4-dihydroisoquinolin-1(2H)-one | CHEMBL1688212) Show SMILES O=C1NCCc2ccccc12 Show InChI InChI=1S/C9H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4H,5-6H2,(H,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Oregon Health and Science University Curated by ChEMBL					Assay Description Inhibition of full length human His-SUMO-tagged PARP11 expressed in Escherichia coli BL21 assessed as reduction in MARylation of His6-tagged SRPK2 su...				ACS Med Chem Lett 10: 74-79 (2019) Article DOI: 10.1021/acsmedchemlett.8b00429
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 11 (Homo sapiens)	BDBM50339016 (3,4-dihydroisoquinolin-1(2H)-one | CHEMBL1688212) Show SMILES O=C1NCCc2ccccc12 Show InChI InChI=1S/C9H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4H,5-6H2,(H,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Oregon Health and Science University Curated by ChEMBL					Assay Description Inhibition of full length human His-SUMO-tagged PARP11 expressed in Escherichia coli BL21 assessed as reduction in MARylation of His6-tagged SRPK2 su...				ACS Med Chem Lett 10: 74-79 (2019) Article DOI: 10.1021/acsmedchemlett.8b00429
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 10 (Homo sapiens (Human))	BDBM50339016 (3,4-dihydroisoquinolin-1(2H)-one | CHEMBL1688212) Show SMILES O=C1NCCc2ccccc12 Show InChI InChI=1S/C9H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4H,5-6H2,(H,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Oregon Health and Science University Curated by ChEMBL					Assay Description Inhibition of human PARP10 catalytic domain assessed as reduction in MARylation of His6-tagged SRPK2 substrate after 60 mins in presence of NAD+ by c...				ACS Med Chem Lett 10: 74-79 (2019) Article DOI: 10.1021/acsmedchemlett.8b00429
					More data for this Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM50339016 (3,4-dihydroisoquinolin-1(2H)-one | CHEMBL1688212) Show SMILES O=C1NCCc2ccccc12 Show InChI InChI=1S/C9H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4H,5-6H2,(H,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.69E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...				ACS Med Chem Lett 1: 439-442 (2010) Article DOI: 10.1021/ml100136n BindingDB Entry DOI: 10.7270/Q22807WJ
					More data for this Ligand-Target Pair				3D Structure (crystal)