BDBM224629 US9328111, 2

SMILES: O=c1[nH]nc2c3CCCCc3[nH]c3cccc1c23

InChI Key: InChIKey=YTZCTEISEKPJTQ-UHFFFAOYSA-N

Data: 3 IC50

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 = 224629   

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))	BDBM224629 (US9328111, 2) Show SMILES O=c1[nH]nc2c3CCCCc3[nH]c3cccc1c23 Show InChI InChI=1S/C14H13N3O/c18-14-9-5-3-7-11-12(9)13(16-17-14)8-4-1-2-6-10(8)15-11/h3,5,7,15H,1-2,4,6H2,(H,17,18)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10	n/a	n/a	n/a	n/a	8.0	n/a
BeiGene Ltd. US Patent					Assay Description PARP1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP1 was pre-incubate...				US Patent US9328111 (2016) BindingDB Entry DOI: 10.7270/Q23J3BT3
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM224629 (US9328111, 2) Show SMILES O=c1[nH]nc2c3CCCCc3[nH]c3cccc1c23 Show InChI InChI=1S/C14H13N3O/c18-14-9-5-3-7-11-12(9)13(16-17-14)8-4-1-2-6-10(8)15-11/h3,5,7,15H,1-2,4,6H2,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene Ltd. US Patent					Assay Description Tankyrase-2 enzymatic assay was conducted using commercial Tankyrase-2 Chemiluminescent Assay Kit (BPS Biosciences) and the protocol with the kit. GS...				US Patent US9328111 (2016) BindingDB Entry DOI: 10.7270/Q23J3BT3
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM224629 (US9328111, 2) Show SMILES O=c1[nH]nc2c3CCCCc3[nH]c3cccc1c23 Show InChI InChI=1S/C14H13N3O/c18-14-9-5-3-7-11-12(9)13(16-17-14)8-4-1-2-6-10(8)15-11/h3,5,7,15H,1-2,4,6H2,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene Ltd. US Patent					Assay Description PARP2 and PARP3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with th...				US Patent US9328111 (2016) BindingDB Entry DOI: 10.7270/Q23J3BT3
					More data for this Ligand-Target Pair