BDBM150782 2-(4-Chlorophenyl)-2,3-dihydroquinazolin-4(1H)-one (1e)

SMILES: Clc1ccc(cc1)C1NC(=O)c2ccccc2N1

InChI Key: InChIKey=FPWIEUZTQYJRJZ-UHFFFAOYSA-N

Data: 2 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 150782   

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
Cathepsin B (Capra hircus (Goat))	BDBM150782 (2-(4-Chlorophenyl)-2,3-dihydroquinazolin-4(1H)-one...) Show SMILES Clc1ccc(cc1)C1NC(=O)c2ccccc2N1 Show InChI InChI=1S/C14H11ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8,13,16H,(H,17,18)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
Kurukshetra University					Assay Description Cathepsin B and H were first activated in the presence of thiol activators at pH 6.0 and pH 7.0, respectively. Then, 15 µL of the enzyme solution was...				Bioorg Chem 59: 12-22 (2015) Article DOI: 10.1016/j.bioorg.2015.01.005 BindingDB Entry DOI: 10.7270/Q2DZ071B
					More data for this Ligand-Target Pair
Cathepsin H (Capra hircus (Goat))	BDBM150782 (2-(4-Chlorophenyl)-2,3-dihydroquinazolin-4(1H)-one...) Show SMILES Clc1ccc(cc1)C1NC(=O)c2ccccc2N1 Show InChI InChI=1S/C14H11ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8,13,16H,(H,17,18)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	2.33E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
Kurukshetra University					Assay Description Cathepsin B and H were first activated in the presence of thiol activators at pH 6.0 and pH 7.0, respectively. Then, 15 µL of the enzyme solution was...				Bioorg Chem 59: 12-22 (2015) Article DOI: 10.1016/j.bioorg.2015.01.005 BindingDB Entry DOI: 10.7270/Q2DZ071B
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM150782 (2-(4-Chlorophenyl)-2,3-dihydroquinazolin-4(1H)-one...) Show SMILES Clc1ccc(cc1)C1NC(=O)c2ccccc2N1 Show InChI InChI=1S/C14H11ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8,13,16H,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
University of Oulu Curated by ChEMBL					Assay Description Inhibition of human TNKS2 (956 to 1161 and 873 to 1161) using 500 nM NAD substrate after 20 mins incubation by fluorescence assay				Bioorg Med Chem 23: 4139-49 (2015) Article DOI: 10.1016/j.bmc.2015.06.063 BindingDB Entry DOI: 10.7270/Q2W66NJ2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM150782 (2-(4-Chlorophenyl)-2,3-dihydroquinazolin-4(1H)-one...) Show SMILES Clc1ccc(cc1)C1NC(=O)c2ccccc2N1 Show InChI InChI=1S/C14H11ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8,13,16H,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	417	n/a	n/a	n/a	n/a	n/a	n/a
University of Oulu Curated by ChEMBL					Assay Description Inhibition of human TNKS2 (956 to 1161 and 873 to 1161) using 500 nM NAD substrate after 20 mins incubation by fluorescence assay				Bioorg Med Chem 23: 4139-49 (2015) Article DOI: 10.1016/j.bmc.2015.06.063 BindingDB Entry DOI: 10.7270/Q2W66NJ2
					More data for this Ligand-Target Pair				3D Structure (crystal)