BDBM50121710 2-(2,6-Diethyl-phenyl)-4H-isoquinoline-1,3-dione::CHEMBL88645::PIQ-22

SMILES: CCc1cccc(CC)c1-n1c(O)cc2ccccc2c1=O

InChI Key: InChIKey=CQTGQCXLVRVXLV-UHFFFAOYSA-N

Data: 1 KI  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 4 hits for monomerid = 50121710   

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
Aminopeptidase N (Homo sapiens (Human))	BDBM50121710 (2-(2,6-Diethyl-phenyl)-4H-isoquinoline-1,3-dione |...) Show SMILES CCc1cccc(CC)c1-n1c(O)cc2ccccc2c1=O |(6.7,5.02,;6.72,3.48,;8.06,2.72,;9.38,3.49,;10.73,2.73,;10.73,1.19,;9.4,.41,;9.4,-1.13,;10.74,-1.9,;8.07,1.18,;6.74,.41,;6.74,-1.13,;8.08,-1.9,;5.41,-1.9,;4.07,-1.15,;2.74,-1.92,;1.41,-1.15,;1.41,.39,;2.74,1.17,;4.07,.4,;5.4,1.18,;5.4,2.72,)| Show InChI InChI=1S/C19H19NO2/c1-3-13-9-7-10-14(4-2)18(13)20-17(21)12-15-8-5-6-11-16(15)19(20)22/h5-12,21H,3-4H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of APN (unknown origin)				J Med Chem 61: 6468-6490 (2018) Article DOI: 10.1021/acs.jmedchem.7b00782 BindingDB Entry DOI: 10.7270/Q28S4SHS
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50121710 (2-(2,6-Diethyl-phenyl)-4H-isoquinoline-1,3-dione |...) Show SMILES CCc1cccc(CC)c1-n1c(O)cc2ccccc2c1=O |(6.7,5.02,;6.72,3.48,;8.06,2.72,;9.38,3.49,;10.73,2.73,;10.73,1.19,;9.4,.41,;9.4,-1.13,;10.74,-1.9,;8.07,1.18,;6.74,.41,;6.74,-1.13,;8.08,-1.9,;5.41,-1.9,;4.07,-1.15,;2.74,-1.92,;1.41,-1.15,;1.41,.39,;2.74,1.17,;4.07,.4,;5.4,1.18,;5.4,2.72,)| Show InChI InChI=1S/C19H19NO2/c1-3-13-9-7-10-14(4-2)18(13)20-17(21)12-15-8-5-6-11-16(15)19(20)22/h5-12,21H,3-4H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	409	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description Inhibitory activity against aminopeptidase N assayed by the L-Ala-MCA method.				J Med Chem 41: 263-5 (1998) Article DOI: 10.1021/jm970624o BindingDB Entry DOI: 10.7270/Q24X5BJC
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50121710 (2-(2,6-Diethyl-phenyl)-4H-isoquinoline-1,3-dione |...) Show SMILES CCc1cccc(CC)c1-n1c(O)cc2ccccc2c1=O |(6.7,5.02,;6.72,3.48,;8.06,2.72,;9.38,3.49,;10.73,2.73,;10.73,1.19,;9.4,.41,;9.4,-1.13,;10.74,-1.9,;8.07,1.18,;6.74,.41,;6.74,-1.13,;8.08,-1.9,;5.41,-1.9,;4.07,-1.15,;2.74,-1.92,;1.41,-1.15,;1.41,.39,;2.74,1.17,;4.07,.4,;5.4,1.18,;5.4,2.72,)| Show InChI InChI=1S/C19H19NO2/c1-3-13-9-7-10-14(4-2)18(13)20-17(21)12-15-8-5-6-11-16(15)19(20)22/h5-12,21H,3-4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description Inhibitory activity against dipeptidyl peptidase IV (DPP- IV)				J Med Chem 41: 263-5 (1998) Article DOI: 10.1021/jm970624o BindingDB Entry DOI: 10.7270/Q24X5BJC
					More data for this Ligand-Target Pair
Puromycin-sensitive aminopeptidase (Homo sapiens (Human))	BDBM50121710 (2-(2,6-Diethyl-phenyl)-4H-isoquinoline-1,3-dione |...) Show SMILES CCc1cccc(CC)c1-n1c(O)cc2ccccc2c1=O |(6.7,5.02,;6.72,3.48,;8.06,2.72,;9.38,3.49,;10.73,2.73,;10.73,1.19,;9.4,.41,;9.4,-1.13,;10.74,-1.9,;8.07,1.18,;6.74,.41,;6.74,-1.13,;8.08,-1.9,;5.41,-1.9,;4.07,-1.15,;2.74,-1.92,;1.41,-1.15,;1.41,.39,;2.74,1.17,;4.07,.4,;5.4,1.18,;5.4,2.72,)| Show InChI InChI=1S/C19H19NO2/c1-3-13-9-7-10-14(4-2)18(13)20-17(21)12-15-8-5-6-11-16(15)19(20)22/h5-12,21H,3-4H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Puromycin sensitive aminopeptidase inhibitory activity of the compound was determined by the use of L-Ala AMC with MOLT-4				Bioorg Med Chem Lett 13: 83-6 (2002) BindingDB Entry DOI: 10.7270/Q2RV0N1C
					More data for this Ligand-Target Pair