BDBM33453 (3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-methanone::(3-amino-1,2,4-triazol-4-yl)-(4-methoxyphenyl)methanone::(3-azanyl-1,2,4-triazol-4-yl)-(4-methoxyphenyl)methanone::MLS000528783::SMR000121258::cid_2938648

SMILES: COc1ccc(cc1)C(=O)n1cnnc1N

InChI Key: InChIKey=GEWIUKZEFCKWDD-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 33453   

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
Matriptase (Homo sapiens (Human))	BDBM33453 ((3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-m...) Show SMILES COc1ccc(cc1)C(=O)n1cnnc1N Show InChI InChI=1S/C10H10N4O2/c1-16-8-4-2-7(3-5-8)9(15)14-6-12-13-10(14)11/h2-6H,1H3,(H2,11,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	8.0	n/a
Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC) Curated by ChEMBL					Assay Description Inhibition of human matriptase measured after 15 mins at pH 8 by fluorescence assay				Bioorg Med Chem Lett 23: 4547-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.039 BindingDB Entry DOI: 10.7270/Q23B61JV
					More data for this Ligand-Target Pair
Kallikrein 14 (Homo sapiens (Human))	BDBM33453 ((3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-m...) Show SMILES COc1ccc(cc1)C(=O)n1cnnc1N Show InChI InChI=1S/C10H10N4O2/c1-16-8-4-2-7(3-5-8)9(15)14-6-12-13-10(14)11/h2-6H,1H3,(H2,11,13)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC) Curated by ChEMBL					Assay Description Inhibition of human kallikrein 14 measured after 15 mins at pH 8 by fluorescence assay				Bioorg Med Chem Lett 23: 4547-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.039 BindingDB Entry DOI: 10.7270/Q23B61JV
					More data for this Ligand-Target Pair
Kallikrein 5 (Homo sapiens (Human))	BDBM33453 ((3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-m...) Show SMILES COc1ccc(cc1)C(=O)n1cnnc1N Show InChI InChI=1S/C10H10N4O2/c1-16-8-4-2-7(3-5-8)9(15)14-6-12-13-10(14)11/h2-6H,1H3,(H2,11,13)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC) Curated by ChEMBL					Assay Description Inhibition of human kallikrein 5 measured after 15 mins at pH 8 by fluorescence assay				Bioorg Med Chem Lett 23: 4547-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.039 BindingDB Entry DOI: 10.7270/Q23B61JV
					More data for this Ligand-Target Pair
Kallikrein 7 (Homo sapiens (Human))	BDBM33453 ((3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-m...) Show SMILES COc1ccc(cc1)C(=O)n1cnnc1N Show InChI InChI=1S/C10H10N4O2/c1-16-8-4-2-7(3-5-8)9(15)14-6-12-13-10(14)11/h2-6H,1H3,(H2,11,13)	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	610	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC) Curated by ChEMBL					Assay Description Inhibition of human kallikrein 7 measured after 15 mins at pH 8 by fluorescence assay				Bioorg Med Chem Lett 23: 4547-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.039 BindingDB Entry DOI: 10.7270/Q23B61JV
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM33453 ((3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-m...) Show SMILES COc1ccc(cc1)C(=O)n1cnnc1N Show InChI InChI=1S/C10H10N4O2/c1-16-8-4-2-7(3-5-8)9(15)14-6-12-13-10(14)11/h2-6H,1H3,(H2,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q20K2704
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM33453 ((3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-m...) Show SMILES COc1ccc(cc1)C(=O)n1cnnc1N Show InChI InChI=1S/C10H10N4O2/c1-16-8-4-2-7(3-5-8)9(15)14-6-12-13-10(14)11/h2-6H,1H3,(H2,11,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21G0JQS
					More data for this Ligand-Target Pair
M18 aspartyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM33453 ((3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-m...) Show SMILES COc1ccc(cc1)C(=O)n1cnnc1N Show InChI InChI=1S/C10H10N4O2/c1-16-8-4-2-7(3-5-8)9(15)14-6-12-13-10(14)11/h2-6H,1H3,(H2,11,13)	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24B2ZQ2
					More data for this Ligand-Target Pair
Kallikrein 5 (Homo sapiens (Human))	BDBM33453 ((3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-m...) Show SMILES COc1ccc(cc1)C(=O)n1cnnc1N Show InChI InChI=1S/C10H10N4O2/c1-16-8-4-2-7(3-5-8)9(15)14-6-12-13-10(14)11/h2-6H,1H3,(H2,11,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2GH9GC8
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM33453 ((3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-m...) Show SMILES COc1ccc(cc1)C(=O)n1cnnc1N Show InChI InChI=1S/C10H10N4O2/c1-16-8-4-2-7(3-5-8)9(15)14-6-12-13-10(14)11/h2-6H,1H3,(H2,11,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.59E+3	n/a	n/a	n/a	n/a	7.4	23
PCMD Curated by PubChem BioAssay					Assay Description HTS was performed on a total of 33,068 compounds of the MLSCN library, 23,017 of which were not in the mixture HTS plates used previously. These comp...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PV6HQB
					More data for this Ligand-Target Pair