BDBM32709 (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methylphenyl)methanone::(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methylphenyl)methanone::1-(4-methylbenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine::MLS000537840::SMR000144080::[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone::[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(p-tolyl)methanone::cid_970375

SMILES Cc1ccc(cc1)C(=O)n1nc(nc1N)-c1cccnc1

InChI Key InChIKey=BIEYFOHSWAIQDF-UHFFFAOYSA-N

Data  1 KI  11 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 32709   

TargetKallikrein-5 [D153N](Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM32709((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-met...)
Affinity DataKi:  4.40E+3nMAssay Description:Inhibition of human kallikrein 5 measured after 15 mins at pH 8 by double-reciprocal plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSuppressor of tumorigenicity 14 protein(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM32709((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-met...)
Affinity DataIC50:  570nMAssay Description:Inhibition of human matriptase measured after 15 mins at pH 8 by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKallikrein-5 [D153N](Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM32709((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-met...)
Affinity DataIC50:  270nMAssay Description:Inhibition of human kallikrein 5 measured after 15 mins at pH 8 by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKallikrein-7(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM32709((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-met...)
Affinity DataIC50:  40nMAssay Description:Inhibition of human kallikrein 7 measured after 15 mins at pH 8 by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKallikrein-5(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32709((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-met...)
Affinity DataIC50:  408nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetProthrombin(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32709((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-met...)
Affinity DataIC50:  543nMpH: 7.5 T: 2°CAssay 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, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCoagulation factor XI(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32709((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-met...)
Affinity DataIC50: >5.00E+4nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCoagulation factor XI(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32709((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-met...)
Affinity DataIC50: >5.00E+4nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCoagulation factor XI(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32709((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-met...)
Affinity DataIC50: >5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32709((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-met...)
Affinity DataIC50:  796nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetKallikrein-14(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM32709((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-met...)
Affinity DataIC50:  1.29E+3nMAssay Description:Inhibition of human kallikrein 14 measured after 15 mins at pH 8 by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32709((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-met...)
Affinity DataIC50:  796nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay