BDBM138324 US8877944, 28

SMILES: NC(=O)c1cccc2CN(C3CCN(Cc4cccc5[nH]ccc45)CC3)C(=O)c12

InChI Key: InChIKey=ZAILEKMOQXHRQJ-UHFFFAOYSA-N

Data: 1 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 4 hits for monomerid = 138324   

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)	BDBM138324 (US8877944, 28) Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4cccc5[nH]ccc45)CC3)C(=O)c12 Show InChI InChI=1S/C23H24N4O2/c24-22(28)19-5-1-4-16-14-27(23(29)21(16)19)17-8-11-26(12-9-17)13-15-3-2-6-20-18(15)7-10-25-20/h1-7,10,17,25H,8-9,11-14H2,(H2,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	34	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 2 (Homo sapiens (Human))	BDBM138324 (US8877944, 28) Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4cccc5[nH]ccc45)CC3)C(=O)c12 Show InChI InChI=1S/C23H24N4O2/c24-22(28)19-5-1-4-16-14-27(23(29)21(16)19)17-8-11-26(12-9-17)13-15-3-2-6-20-18(15)7-10-25-20/h1-7,10,17,25H,8-9,11-14H2,(H2,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.51E+3	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))	BDBM138324 (US8877944, 28) Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4cccc5[nH]ccc45)CC3)C(=O)c12 Show InChI InChI=1S/C23H24N4O2/c24-22(28)19-5-1-4-16-14-27(23(29)21(16)19)17-8-11-26(12-9-17)13-15-3-2-6-20-18(15)7-10-25-20/h1-7,10,17,25H,8-9,11-14H2,(H2,24,28)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	34	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
Poly [ADP-ribose] polymerase 1 (Parp1) (Mus musculus)	BDBM138324 (US8877944, 28) Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4cccc5[nH]ccc45)CC3)C(=O)c12 Show InChI InChI=1S/C23H24N4O2/c24-22(28)19-5-1-4-16-14-27(23(29)21(16)19)17-8-11-26(12-9-17)13-15-3-2-6-20-18(15)7-10-25-20/h1-7,10,17,25H,8-9,11-14H2,(H2,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	190	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