BDBM138311 US8877944, 15

SMILES: NC(=O)c1cccc2CN(C3CCN(Cc4ccc(cc4)C(F)(F)F)CC3)C(=O)c12

InChI Key: InChIKey=FRWIIFSPNRVERL-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 = 138311   

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)	BDBM138311 (US8877944, 15) Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccc(cc4)C(F)(F)F)CC3)C(=O)c12 Show InChI InChI=1S/C22H22F3N3O2/c23-22(24,25)16-6-4-14(5-7-16)12-27-10-8-17(9-11-27)28-13-15-2-1-3-18(20(26)29)19(15)21(28)30/h1-7,17H,8-13H2,(H2,26,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	50	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))	BDBM138311 (US8877944, 15) Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccc(cc4)C(F)(F)F)CC3)C(=O)c12 Show InChI InChI=1S/C22H22F3N3O2/c23-22(24,25)16-6-4-14(5-7-16)12-27-10-8-17(9-11-27)28-13-15-2-1-3-18(20(26)29)19(15)21(28)30/h1-7,17H,8-13H2,(H2,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	3.63E+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))	BDBM138311 (US8877944, 15) Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccc(cc4)C(F)(F)F)CC3)C(=O)c12 Show InChI InChI=1S/C22H22F3N3O2/c23-22(24,25)16-6-4-14(5-7-16)12-27-10-8-17(9-11-27)28-13-15-2-1-3-18(20(26)29)19(15)21(28)30/h1-7,17H,8-13H2,(H2,26,29)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	54	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