BDBM33882 (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chlorophenyl)methanone::(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chlorophenyl)methanone::1-(4-chlorobenzoyl)-3-pyridin-3-yl-1H-1,2,4-triazol-5-amine::MLS000727811::SMR000306508::[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::cid_5000438
SMILES: Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1cccnc1
InChI Key: InChIKey=ZAFULIRXGRRKIP-UHFFFAOYSA-N
Data: 10 IC50
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)) | BDBM33882 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chl...) | 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)) | BDBM33882 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chl...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 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)) | BDBM33882 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chl...) | PDB MMDB KEGG B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.14E+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 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)) | BDBM33882 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chl...) | 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 | 220 | 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 | |||||||||||||
Coagulation factor XII (Homo sapiens (Human)) | BDBM33882 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chl...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Akron Curated by ChEMBL | Assay Description Inhibition of human factor 12a using Boc-Gly-Gln-Arg-AMC substrate incubated for 1 hr in presence of 0.02% Tween20 surfactant by fluorescence assay | Eur J Med Chem 140: 31-41 (2017) Article DOI: 10.1016/j.ejmech.2017.08.056 BindingDB Entry DOI: 10.7270/Q20G3NR9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Factor XIIa (Homo sapiens (Human)) | BDBM33882 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chl...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 327 | 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 | |||||||||||||
Coagulation factor XII (Homo sapiens (Human)) | BDBM33882 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chl...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Akron Curated by ChEMBL | Assay Description Inhibition of human factor 12a using Boc-Gly-Gln-Arg-AMC substrate incubated for 1 hr in presence of 0.01% Tween20 surfactant by fluorescence assay | Eur J Med Chem 140: 31-41 (2017) Article DOI: 10.1016/j.ejmech.2017.08.056 BindingDB Entry DOI: 10.7270/Q20G3NR9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XII (Homo sapiens (Human)) | BDBM33882 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chl...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Akron Curated by ChEMBL | Assay Description Inhibition of human factor 12a using Boc-Gly-Gln-Arg-AMC substrate incubated for 1 hr by fluorescence assay | Eur J Med Chem 140: 31-41 (2017) Article DOI: 10.1016/j.ejmech.2017.08.056 BindingDB Entry DOI: 10.7270/Q20G3NR9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XII (Homo sapiens (Human)) | BDBM33882 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chl...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Akron Curated by ChEMBL | Assay Description Inhibition of human factor 12a using Boc-Gly-Gln-Arg-AMC substrate incubated for 1 hr in presence of 0% Tween20 surfactant by fluorescence assay | Eur J Med Chem 140: 31-41 (2017) Article DOI: 10.1016/j.ejmech.2017.08.056 BindingDB Entry DOI: 10.7270/Q20G3NR9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM33882 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chl...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 781 | 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 |