BDBM27129 2-{1-[2-(diethylamino)ethyl]piperidin-4-yl}-1H-1,3-benzodiazole-4-carboxamide::cyclic amine-containing benzimidazole carboxamide, 10i

SMILES: CCN(CC)CCN1CCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1

InChI Key: InChIKey=YFWKBYJZGLOJSM-UHFFFAOYSA-N

Data: 1 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 27129   

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))	BDBM27129 (2-{1-[2-(diethylamino)ethyl]piperidin-4-yl}-1H-1,3...) Show SMILES CCN(CC)CCN1CCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C19H29N5O/c1-3-23(4-2)12-13-24-10-8-14(9-11-24)19-21-16-7-5-6-15(18(20)25)17(16)22-19/h5-7,14H,3-4,8-13H2,1-2H3,(H2,20,25)(H,21,22)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
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