BDBM27682 5-methyl-1,2,3,4-tetrahydroisoquinolin-1-one::CHEMBL125200::dihydroisoquinolinone, 1

SMILES: Cc1cccc2C(=O)NCCc12

InChI Key: InChIKey=RLLZPXDJYADIEU-UHFFFAOYSA-N

Data: 1 KI  7 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 8 hits for monomerid = 27682   

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))	BDBM27682 (5-methyl-1,2,3,4-tetrahydroisoquinolin-1-one | CHE...) Show SMILES Cc1cccc2C(=O)NCCc12 Show InChI InChI=1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D--La Jolla Laboratories Curated by ChEMBL					Assay Description Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme				J Med Chem 47: 5467-81 (2004) Article DOI: 10.1021/jm030513r BindingDB Entry DOI: 10.7270/Q2PK0FM4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase-1 (Mus musculus)	BDBM27682 (5-methyl-1,2,3,4-tetrahydroisoquinolin-1-one | CHE...) Show SMILES Cc1cccc2C(=O)NCCc12 Show InChI InChI=1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
The University Curated by ChEMBL					Assay Description Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells				J Med Chem 41: 5247-56 (1999) Article DOI: 10.1021/jm980273t BindingDB Entry DOI: 10.7270/Q2VX0FNK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27682 (5-methyl-1,2,3,4-tetrahydroisoquinolin-1-one | CHE...) Show SMILES Cc1cccc2C(=O)NCCc12 Show InChI InChI=1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Nirma University Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin)				Eur J Med Chem 165: 198-215 (2019) Article DOI: 10.1016/j.ejmech.2019.01.024
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 10 (Homo sapiens (Human))	BDBM27682 (5-methyl-1,2,3,4-tetrahydroisoquinolin-1-one | CHE...) Show SMILES Cc1cccc2C(=O)NCCc12 Show InChI InChI=1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.77E+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 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 10 (Homo sapiens (Human))	BDBM27682 (5-methyl-1,2,3,4-tetrahydroisoquinolin-1-one | CHE...) Show SMILES Cc1cccc2C(=O)NCCc12 Show InChI InChI=1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.60E+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 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)	BDBM27682 (5-methyl-1,2,3,4-tetrahydroisoquinolin-1-one | CHE...) Show SMILES Cc1cccc2C(=O)NCCc12 Show InChI InChI=1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+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 1 (Homo sapiens (Human))	BDBM27682 (5-methyl-1,2,3,4-tetrahydroisoquinolin-1-one | CHE...) Show SMILES Cc1cccc2C(=O)NCCc12 Show InChI InChI=1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	8.0	23
Deltagen Research Laboratories					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP-1 enzyme assay was carried out in reaction mixture consisting of Escherichia coli str...				Bioorg Med Chem Lett 18: 5126-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.091 BindingDB Entry DOI: 10.7270/Q29S1PCX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 11 (Homo sapiens)	BDBM27682 (5-methyl-1,2,3,4-tetrahydroisoquinolin-1-one | CHE...) Show SMILES Cc1cccc2C(=O)NCCc12 Show InChI InChI=1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.14E+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