BDBM27149 2-(2-methylpyrrolidin-2-yl)-1H-1,3-benzodiazole-4-carboxamide::benzimidazole carboxamide, 14

SMILES: CC1(CCCN1)c1nc2cccc(C(N)=O)c2[nH]1

InChI Key: InChIKey=JNAHVYVRKWKWKQ-UHFFFAOYSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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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 = 27149   

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))	BDBM27149 (2-(2-methylpyrrolidin-2-yl)-1H-1,3-benzodiazole-4-...) Show SMILES CC1(CCCN1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4	-11.3	n/a	n/a	n/a	n/a	n/a	8.0	22
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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair				3D Structure (crystal)