BDBM138315 US8877944, 19

SMILES: Cc1ccccc1CN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O

InChI Key: InChIKey=LVFBZVPGEPDXOE-UHFFFAOYSA-N

Data: 2 IC50  3 Kd

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 = 138315   

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 (Parp1) (Mus musculus)	BDBM138315 (US8877944, 19) Show SMILES Cc1ccccc1CN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O Show InChI InChI=1S/C22H25N3O2/c1-15-5-2-3-6-16(15)13-24-11-9-18(10-12-24)25-14-17-7-4-8-19(21(23)26)20(17)22(25)27/h2-8,18H,9-14H2,1H3,(H2,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Parp1) (Mus musculus)	BDBM138315 (US8877944, 19) Show SMILES Cc1ccccc1CN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O Show InChI InChI=1S/C22H25N3O2/c1-15-5-2-3-6-16(15)13-24-11-9-18(10-12-24)25-14-17-7-4-8-19(21(23)26)20(17)22(25)27/h2-8,18H,9-14H2,1H3,(H2,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM138315 (US8877944, 19) Show SMILES Cc1ccccc1CN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O Show InChI InChI=1S/C22H25N3O2/c1-15-5-2-3-6-16(15)13-24-11-9-18(10-12-24)25-14-17-7-4-8-19(21(23)26)20(17)22(25)27/h2-8,18H,9-14H2,1H3,(H2,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay				J Med Chem 58: 6875-98 (2015) BindingDB Entry DOI: 10.7270/Q2JD4ZKF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM138315 (US8877944, 19) Show SMILES Cc1ccccc1CN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O Show InChI InChI=1S/C22H25N3O2/c1-15-5-2-3-6-16(15)13-24-11-9-18(10-12-24)25-14-17-7-4-8-19(21(23)26)20(17)22(25)27/h2-8,18H,9-14H2,1H3,(H2,23,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measur...				J Med Chem 58: 6875-98 (2015) BindingDB Entry DOI: 10.7270/Q2JD4ZKF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM138315 (US8877944, 19) Show SMILES Cc1ccccc1CN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O Show InChI InChI=1S/C22H25N3O2/c1-15-5-2-3-6-16(15)13-24-11-9-18(10-12-24)25-14-17-7-4-8-19(21(23)26)20(17)22(25)27/h2-8,18H,9-14H2,1H3,(H2,23,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay				J Med Chem 58: 6875-98 (2015) BindingDB Entry DOI: 10.7270/Q2JD4ZKF
					More data for this Ligand-Target Pair