BDBM32833 (4-methoxyphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone::(4-methoxyphenyl)-[5-(methylthio)-3-phenyl-1,2,4-triazol-1-yl]methanone::MLS000545911::SMR000162943::cid_828565::methyl4-{[5-(methylthio)-3-phenyl-1H-1,2,4-triazol-1-yl]carbonyl}phenylether

SMILES: COc1ccc(cc1)C(=O)n1nc(nc1SC)-c1ccccc1

InChI Key: InChIKey=CCNUFKYNBAVEHI-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 32833   

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
Prothrombin (Homo sapiens (Human))	BDBM32833 ((4-methoxyphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4...) Show SMILES COc1ccc(cc1)C(=O)n1nc(nc1SC)-c1ccccc1 Show InChI InChI=1S/C17H15N3O2S/c1-22-14-10-8-13(9-11-14)16(21)20-17(23-2)18-15(19-20)12-6-4-3-5-7-12/h3-11H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	913	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
Kallikrein 5 (Homo sapiens (Human))	BDBM32833 ((4-methoxyphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4...) Show SMILES COc1ccc(cc1)C(=O)n1nc(nc1SC)-c1ccccc1 Show InChI InChI=1S/C17H15N3O2S/c1-22-14-10-8-13(9-11-14)16(21)20-17(23-2)18-15(19-20)12-6-4-3-5-7-12/h3-11H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	316	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))	BDBM32833 ((4-methoxyphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4...) Show SMILES COc1ccc(cc1)C(=O)n1nc(nc1SC)-c1ccccc1 Show InChI InChI=1S/C17H15N3O2S/c1-22-14-10-8-13(9-11-14)16(21)20-17(23-2)18-15(19-20)12-6-4-3-5-7-12/h3-11H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.44E+3	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