BDBM32945 (4-methyl-5-thioxo-1,2,4-triazol-1-yl)-(p-tolyl)methanone::(4-methylphenyl)-(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methanone::MLS001003934::SMR000347727::cid_2376254

SMILES: Cc1ccc(cc1)C(=O)n1ncn(C)c1=S

InChI Key: InChIKey=GHJUQPDHYJIXSP-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 = 32945   

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))	BDBM32945 ((4-methyl-5-thioxo-1,2,4-triazol-1-yl)-(p-tolyl)me...) Show SMILES Cc1ccc(cc1)C(=O)n1ncn(C)c1=S Show InChI InChI=1S/C11H11N3OS/c1-8-3-5-9(6-4-8)10(15)14-11(16)13(2)7-12-14/h3-7H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.02E+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
Factor XIIa (Homo sapiens (Human))	BDBM32945 ((4-methyl-5-thioxo-1,2,4-triazol-1-yl)-(p-tolyl)me...) Show SMILES Cc1ccc(cc1)C(=O)n1ncn(C)c1=S Show InChI InChI=1S/C11H11N3OS/c1-8-3-5-9(6-4-8)10(15)14-11(16)13(2)7-12-14/h3-7H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	498	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 XI (Homo sapiens (Human))	BDBM32945 ((4-methyl-5-thioxo-1,2,4-triazol-1-yl)-(p-tolyl)me...) Show SMILES Cc1ccc(cc1)C(=O)n1ncn(C)c1=S Show InChI InChI=1S/C11H11N3OS/c1-8-3-5-9(6-4-8)10(15)14-11(16)13(2)7-12-14/h3-7H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	122	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