BDBM23709 3-methyl-1-[(3,4,5-trimethoxyphenyl)carbonyl]-1H-pyrazole::N-Benzoylpyrazole deriv., 17

SMILES: COc1cc(cc(OC)c1OC)C(=O)n1ccc(C)n1

InChI Key: InChIKey=OYKZCMONWDBMLU-UHFFFAOYSA-N

Data: 1 KI  4 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 7 hits for monomerid = 23709   

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
Leukocyte elastase (Homo sapiens (Human))	BDBM23709 (3-methyl-1-[(3,4,5-trimethoxyphenyl)carbonyl]-1H-p...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)n1ccc(C)n1 Show InChI InChI=1S/C14H16N2O4/c1-9-5-6-16(15-9)14(17)10-7-11(18-2)13(20-4)12(8-10)19-3/h5-8H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	21	-10.5	n/a	n/a	n/a	n/a	n/a	7.5	25
Montana State University					Assay Description HTS was performed in black flat-bottom 96-well microtiter plates. The reaction was initiated by addition of elastase substrate to the reaction buffer...				J Med Chem 50: 4928-38 (2007) Article DOI: 10.1021/jm070600+ BindingDB Entry DOI: 10.7270/Q2ST7N5S
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM23709 (3-methyl-1-[(3,4,5-trimethoxyphenyl)carbonyl]-1H-p...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)n1ccc(C)n1 Show InChI InChI=1S/C14H16N2O4/c1-9-5-6-16(15-9)14(17)10-7-11(18-2)13(20-4)12(8-10)19-3/h5-8H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University					Assay Description Thrombin activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentration o...				J Med Chem 50: 4928-38 (2007) Article DOI: 10.1021/jm070600+ BindingDB Entry DOI: 10.7270/Q2ST7N5S
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM23709 (3-methyl-1-[(3,4,5-trimethoxyphenyl)carbonyl]-1H-p...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)n1ccc(C)n1 Show InChI InChI=1S/C14H16N2O4/c1-9-5-6-16(15-9)14(17)10-7-11(18-2)13(20-4)12(8-10)19-3/h5-8H,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University					Assay Description Cathepsin D assays were monitored with a Fluoroskan Ascent FL microtiter plate reader at excitation and emission wavelengths of 340 and 390 nm, respe...				J Med Chem 50: 4928-38 (2007) Article DOI: 10.1021/jm070600+ BindingDB Entry DOI: 10.7270/Q2ST7N5S
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM23709 (3-methyl-1-[(3,4,5-trimethoxyphenyl)carbonyl]-1H-p...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)n1ccc(C)n1 Show InChI InChI=1S/C14H16N2O4/c1-9-5-6-16(15-9)14(17)10-7-11(18-2)13(20-4)12(8-10)19-3/h5-8H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University					Assay Description Kallikrein activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentration...				J Med Chem 50: 4928-38 (2007) Article DOI: 10.1021/jm070600+ BindingDB Entry DOI: 10.7270/Q2ST7N5S
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM23709 (3-methyl-1-[(3,4,5-trimethoxyphenyl)carbonyl]-1H-p...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)n1ccc(C)n1 Show InChI InChI=1S/C14H16N2O4/c1-9-5-6-16(15-9)14(17)10-7-11(18-2)13(20-4)12(8-10)19-3/h5-8H,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University					Assay Description Reactions for aminopeptidase M activity were monitored at 405 nm using a SpectraMax Plus microplate reader. For all compounds tested, the concentrati...				J Med Chem 50: 4928-38 (2007) Article DOI: 10.1021/jm070600+ BindingDB Entry DOI: 10.7270/Q2ST7N5S
					More data for this Ligand-Target Pair
Chymotrypsin (Homo sapiens (Human))	BDBM23709 (3-methyl-1-[(3,4,5-trimethoxyphenyl)carbonyl]-1H-p...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)n1ccc(C)n1 Show InChI InChI=1S/C14H16N2O4/c1-9-5-6-16(15-9)14(17)10-7-11(18-2)13(20-4)12(8-10)19-3/h5-8H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University					Assay Description Chymotrypsin activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentrati...				J Med Chem 50: 4928-38 (2007) Article DOI: 10.1021/jm070600+ BindingDB Entry DOI: 10.7270/Q2ST7N5S
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM23709 (3-methyl-1-[(3,4,5-trimethoxyphenyl)carbonyl]-1H-p...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)n1ccc(C)n1 Show InChI InChI=1S/C14H16N2O4/c1-9-5-6-16(15-9)14(17)10-7-11(18-2)13(20-4)12(8-10)19-3/h5-8H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University					Assay Description Urokinase activity was monitored at excitation and emission wavelengths of 355 and 460 nm, respectively. For all compounds tested, the concentration ...				J Med Chem 50: 4928-38 (2007) Article DOI: 10.1021/jm070600+ BindingDB Entry DOI: 10.7270/Q2ST7N5S
					More data for this Ligand-Target Pair