BDBM32713 (3-amino-1,2,4-triazol-4-yl)-(4-methylphenyl)methanone::(3-amino-1,2,4-triazol-4-yl)-(p-tolyl)methanone::(3-azanyl-1,2,4-triazol-4-yl)-(4-methylphenyl)methanone::4-(4-methylbenzoyl)-4H-1,2,4-triazol-3-amine::MLS000537289::SMR000143706::cid_892616

SMILES: Cc1ccc(cc1)C(=O)n1cnnc1N

InChI Key: InChIKey=QXYXZOXEPMANBZ-UHFFFAOYSA-N

Data: 7 IC50  1 EC50

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 8 hits for monomerid = 32713   

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
Factor XIIa (Homo sapiens (Human))	BDBM32713 ((3-amino-1,2,4-triazol-4-yl)-(4-methylphenyl)metha...) Show SMILES Cc1ccc(cc1)C(=O)n1cnnc1N Show InChI InChI=1S/C10H10N4O/c1-7-2-4-8(5-3-7)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	9.18E+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
Prothrombin (Homo sapiens (Human))	BDBM32713 ((3-amino-1,2,4-triazol-4-yl)-(4-methylphenyl)metha...) Show SMILES Cc1ccc(cc1)C(=O)n1cnnc1N Show InChI InChI=1S/C10H10N4O/c1-7-2-4-8(5-3-7)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	4.05E+3	n/a	n/a	n/a	n/a	7.5	23
PCMD Curated by PubChem BioAssay					Assay Description HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2K64GDN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM32713 ((3-amino-1,2,4-triazol-4-yl)-(4-methylphenyl)metha...) Show SMILES Cc1ccc(cc1)C(=O)n1cnnc1N Show InChI InChI=1S/C10H10N4O/c1-7-2-4-8(5-3-7)9(15)14-6-12-13-10(14)11/h2-6H,1H3,(H2,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.4	23
PCMD Curated by PubChem BioAssay					Assay Description Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2N29V8J
					More data for this Ligand-Target Pair
Hsf1 protein (Mus musculus)	BDBM32713 ((3-amino-1,2,4-triazol-4-yl)-(4-methylphenyl)metha...) Show SMILES Cc1ccc(cc1)C(=O)n1cnnc1N Show InChI InChI=1S/C10H10N4O/c1-7-2-4-8(5-3-7)9(15)14-6-12-13-10(14)11/h2-6H,1H3,(H2,11,13)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.60E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2P55KXK
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM32713 ((3-amino-1,2,4-triazol-4-yl)-(4-methylphenyl)metha...) Show SMILES Cc1ccc(cc1)C(=O)n1cnnc1N Show InChI InChI=1S/C10H10N4O/c1-7-2-4-8(5-3-7)9(15)14-6-12-13-10(14)11/h2-6H,1H3,(H2,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	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/Q2W957K6
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM32713 ((3-amino-1,2,4-triazol-4-yl)-(4-methylphenyl)metha...) Show SMILES Cc1ccc(cc1)C(=O)n1cnnc1N Show InChI InChI=1S/C10H10N4O/c1-7-2-4-8(5-3-7)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	9.18E+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
Kallikrein 5 (Homo sapiens (Human))	BDBM32713 ((3-amino-1,2,4-triazol-4-yl)-(4-methylphenyl)metha...) Show SMILES Cc1ccc(cc1)C(=O)n1cnnc1N Show InChI InChI=1S/C10H10N4O/c1-7-2-4-8(5-3-7)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	2.22E+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
Coagulation factor XI (Homo sapiens (Human))	BDBM32713 ((3-amino-1,2,4-triazol-4-yl)-(4-methylphenyl)metha...) Show SMILES Cc1ccc(cc1)C(=O)n1cnnc1N Show InChI InChI=1S/C10H10N4O/c1-7-2-4-8(5-3-7)9(15)14-6-12-13-10(14)11/h2-6H,1H3,(H2,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.4	23
PCMD Curated by PubChem BioAssay					Assay Description Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2H993J6
					More data for this Ligand-Target Pair