BDBM240713 US9422243, 11

SMILES: NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1cccc(c1)C#N

InChI Key: InChIKey=VYUKSMNSIRGBBM-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 = 240713   

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))	BDBM240713 (US9422243, 11) Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1cccc(c1)C#N Show InChI InChI=1S/C18H14FN3O2/c19-13-4-5-14-15(9-13)18(23)22-16(17(14)24-7-6-20)12-3-1-2-11(8-12)10-21/h1-5,8-9H,6-7,20H2,(H,22,23)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM240713 (US9422243, 11) Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1cccc(c1)C#N Show InChI InChI=1S/C18H14FN3O2/c19-13-4-5-14-15(9-13)18(23)22-16(17(14)24-7-6-20)12-3-1-2-11(8-12)10-21/h1-5,8-9H,6-7,20H2,(H,22,23)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description Studies were performed as follows: 6000 cells/well were seeded in 96 well plates (Perkin Elmer) in MEM/10% FCS and incubated for 24 hs at 37° C.,...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					More data for this Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3) (Homo sapiens (Human))	BDBM240713 (US9422243, 11) Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1cccc(c1)C#N Show InChI InChI=1S/C18H14FN3O2/c19-13-4-5-14-15(9-13)18(23)22-16(17(14)24-7-6-20)12-3-1-2-11(8-12)10-21/h1-5,8-9H,6-7,20H2,(H,22,23)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					More data for this Ligand-Target Pair