BDBM138305 US8877944, 8

SMILES: NC(=O)c1cccc2CN(C3CCN(CC3)C3CCC4(CC3)OCCO4)C(=O)c12

InChI Key: InChIKey=VDHNNDGVTZVKBC-UHFFFAOYSA-N

Data: 1 IC50  2 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 3 hits for monomerid = 138305   

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)	BDBM138305 (US8877944, 8) Show SMILES NC(=O)c1cccc2CN(C3CCN(CC3)C3CCC4(CC3)OCCO4)C(=O)c12 Show InChI InChI=1S/C22H29N3O4/c23-20(26)18-3-1-2-15-14-25(21(27)19(15)18)17-6-10-24(11-7-17)16-4-8-22(9-5-16)28-12-13-29-22/h1-3,16-17H,4-14H2,(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	130	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 (Homo sapiens (Human))	BDBM138305 (US8877944, 8) Show SMILES NC(=O)c1cccc2CN(C3CCN(CC3)C3CCC4(CC3)OCCO4)C(=O)c12 Show InChI InChI=1S/C22H29N3O4/c23-20(26)18-3-1-2-15-14-25(21(27)19(15)18)17-6-10-24(11-7-17)16-4-8-22(9-5-16)28-12-13-29-22/h1-3,16-17H,4-14H2,(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	132	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)	BDBM138305 (US8877944, 8) Show SMILES NC(=O)c1cccc2CN(C3CCN(CC3)C3CCC4(CC3)OCCO4)C(=O)c12 Show InChI InChI=1S/C22H29N3O4/c23-20(26)18-3-1-2-15-14-25(21(27)19(15)18)17-6-10-24(11-7-17)16-4-8-22(9-5-16)28-12-13-29-22/h1-3,16-17H,4-14H2,(H2,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	530	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