BDBM50110831 CHEMBL3605981::US10800739, Compound (32)

SMILES: NC(=O)c1cccc2CN(CCCN3CCC(Cc4ccccc4)CC3)C(=O)c12

InChI Key: InChIKey=XURWTHPKVQLLQP-UHFFFAOYSA-N

Data: 4 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 = 50110831   

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))	BDBM50110831 (CHEMBL3605981 | US10800739, Compound (32)) Show SMILES NC(=O)c1cccc2CN(CCCN3CCC(Cc4ccccc4)CC3)C(=O)c12 Show InChI InChI=1S/C24H29N3O2/c25-23(28)21-9-4-8-20-17-27(24(29)22(20)21)13-5-12-26-14-10-19(11-15-26)16-18-6-2-1-3-7-18/h1-4,6-9,19H,5,10-17H2,(H2,25,28)	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	49	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))	BDBM50110831 (CHEMBL3605981 | US10800739, Compound (32)) Show SMILES NC(=O)c1cccc2CN(CCCN3CCC(Cc4ccccc4)CC3)C(=O)c12 Show InChI InChI=1S/C24H29N3O2/c25-23(28)21-9-4-8-20-17-27(24(29)22(20)21)13-5-12-26-14-10-19(11-15-26)16-18-6-2-1-3-7-18/h1-4,6-9,19H,5,10-17H2,(H2,25,28)	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	660	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))	BDBM50110831 (CHEMBL3605981 | US10800739, Compound (32)) Show SMILES NC(=O)c1cccc2CN(CCCN3CCC(Cc4ccccc4)CC3)C(=O)c12 Show InChI InChI=1S/C24H29N3O2/c25-23(28)21-9-4-8-20-17-27(24(29)22(20)21)13-5-12-26-14-10-19(11-15-26)16-18-6-2-1-3-7-18/h1-4,6-9,19H,5,10-17H2,(H2,25,28)	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	48	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 2 (Homo sapiens (Human))	BDBM50110831 (CHEMBL3605981 | US10800739, Compound (32)) Show SMILES NC(=O)c1cccc2CN(CCCN3CCC(Cc4ccccc4)CC3)C(=O)c12 Show InChI InChI=1S/C24H29N3O2/c25-23(28)21-9-4-8-20-17-27(24(29)22(20)21)13-5-12-26-14-10-19(11-15-26)16-18-6-2-1-3-7-18/h1-4,6-9,19H,5,10-17H2,(H2,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	670	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