BDBM32831 (5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)-phenyl-methanone::(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)-phenylmethanone::1-benzoyl-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide::MLS000545915::SMR000162940::[5-(methylthio)-3-phenyl-1,2,4-triazol-1-yl]-phenyl-methanone::[5-(methylthio)-3-phenyl-1,2,4-triazol-1-yl]-phenylmethanone::cid_5069358

SMILES: CSc1nc(nn1C(=O)c1ccccc1)-c1ccccc1

InChI Key: InChIKey=IXBWIERGNHGIDD-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 = 32831   

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))	BDBM32831 ((5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)-phe...) Show SMILES CSc1nc(nn1C(=O)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C16H13N3OS/c1-21-16-17-14(12-8-4-2-5-9-12)18-19(16)15(20)13-10-6-3-7-11-13/h2-11H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	896	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))	BDBM32831 ((5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)-phe...) Show SMILES CSc1nc(nn1C(=O)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C16H13N3OS/c1-21-16-17-14(12-8-4-2-5-9-12)18-19(16)15(20)13-10-6-3-7-11-13/h2-11H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	424	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))	BDBM32831 ((5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)-phe...) Show SMILES CSc1nc(nn1C(=O)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C16H13N3OS/c1-21-16-17-14(12-8-4-2-5-9-12)18-19(16)15(20)13-10-6-3-7-11-13/h2-11H,1H3	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	2.04E+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