BDBM50113458 CHEMBL3605975::US10800739, Compound (14)

SMILES: NC(=O)c1cccc2CN(CCN3CCOCC3)C(=O)c12

InChI Key: InChIKey=SDTLVPAVHMUAEM-UHFFFAOYSA-N

Data: 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 3 hits for monomerid = 50113458   

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))	BDBM50113458 (CHEMBL3605975 | US10800739, Compound (14)) Show SMILES NC(=O)c1cccc2CN(CCN3CCOCC3)C(=O)c12 Show InChI InChI=1S/C15H19N3O3/c16-14(19)12-3-1-2-11-10-18(15(20)13(11)12)5-4-17-6-8-21-9-7-17/h1-3H,4-10H2,(H2,16,19)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	160	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 2 (Homo sapiens (Human))	BDBM50113458 (CHEMBL3605975 | US10800739, Compound (14)) Show SMILES NC(=O)c1cccc2CN(CCN3CCOCC3)C(=O)c12 Show InChI InChI=1S/C15H19N3O3/c16-14(19)12-3-1-2-11-10-18(15(20)13(11)12)5-4-17-6-8-21-9-7-17/h1-3H,4-10H2,(H2,16,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Preferably, for the screening method above cited, both the PARP protein and the 5H-phenanthridin-6-one-derived probe of formula (IP) are pre-mixed, o...				US Patent US10800739 (2020)
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50113458 (CHEMBL3605975 | US10800739, Compound (14)) Show SMILES NC(=O)c1cccc2CN(CCN3CCOCC3)C(=O)c12 Show InChI InChI=1S/C15H19N3O3/c16-14(19)12-3-1-2-11-10-18(15(20)13(11)12)5-4-17-6-8-21-9-7-17/h1-3H,4-10H2,(H2,16,19)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Preferably, for the screening method above cited, both the PARP protein and the 5H-phenanthridin-6-one-derived probe of formula (IP) are pre-mixed, o...				US Patent US10800739 (2020)
					More data for this Ligand-Target Pair