BDBM32697 (3-Furan-2-yl-5-methylsulfanyl-[1,2,4]triazol-1-yl)-phenyl-methanone::MLS000527913::SMR000120487::[3-(2-furanyl)-5-(methylthio)-1,2,4-triazol-1-yl]-phenylmethanone::[3-(2-furyl)-5-(methylthio)-1,2,4-triazol-1-yl]-phenyl-methanone::[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenyl-methanone::[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-phenylmethanone::cid_1088427

SMILES: CSc1nc(nn1C(=O)c1ccccc1)-c1ccco1

InChI Key: InChIKey=WHPLFFUAOTXPOV-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 32697   

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
Factor XIIa (Homo sapiens (Human))	BDBM32697 ((3-Furan-2-yl-5-methylsulfanyl-[1,2,4]triazol-1-yl...) Show SMILES CSc1nc(nn1C(=O)c1ccccc1)-c1ccco1 Show InChI InChI=1S/C14H11N3O2S/c1-20-14-15-12(11-8-5-9-19-11)16-17(14)13(18)10-6-3-2-4-7-10/h2-9H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.07E+3	n/a	n/a	n/a	n/a	7.4	23
PCMD Curated by PubChem BioAssay					Assay 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...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PV6HQB
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM32697 ((3-Furan-2-yl-5-methylsulfanyl-[1,2,4]triazol-1-yl...) Show SMILES CSc1nc(nn1C(=O)c1ccccc1)-c1ccco1 Show InChI InChI=1S/C14H11N3O2S/c1-20-14-15-12(11-8-5-9-19-11)16-17(14)13(18)10-6-3-2-4-7-10/h2-9H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	82	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
Coagulation factor XI (Homo sapiens (Human))	BDBM32697 ((3-Furan-2-yl-5-methylsulfanyl-[1,2,4]triazol-1-yl...) Show SMILES CSc1nc(nn1C(=O)c1ccccc1)-c1ccco1 Show InChI InChI=1S/C14H11N3O2S/c1-20-14-15-12(11-8-5-9-19-11)16-17(14)13(18)10-6-3-2-4-7-10/h2-9H,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	>5.00E+4	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/Q2N29V8J
					More data for this Ligand-Target Pair
Kallikrein 5 (Homo sapiens (Human))	BDBM32697 ((3-Furan-2-yl-5-methylsulfanyl-[1,2,4]triazol-1-yl...) Show SMILES CSc1nc(nn1C(=O)c1ccccc1)-c1ccco1 Show InChI InChI=1S/C14H11N3O2S/c1-20-14-15-12(11-8-5-9-19-11)16-17(14)13(18)10-6-3-2-4-7-10/h2-9H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	852	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))	BDBM32697 ((3-Furan-2-yl-5-methylsulfanyl-[1,2,4]triazol-1-yl...) Show SMILES CSc1nc(nn1C(=O)c1ccccc1)-c1ccco1 Show InChI InChI=1S/C14H11N3O2S/c1-20-14-15-12(11-8-5-9-19-11)16-17(14)13(18)10-6-3-2-4-7-10/h2-9H,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	>5.00E+4	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/Q2W957K6
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM32697 ((3-Furan-2-yl-5-methylsulfanyl-[1,2,4]triazol-1-yl...) Show SMILES CSc1nc(nn1C(=O)c1ccccc1)-c1ccco1 Show InChI InChI=1S/C14H11N3O2S/c1-20-14-15-12(11-8-5-9-19-11)16-17(14)13(18)10-6-3-2-4-7-10/h2-9H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.07E+3	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))	BDBM32697 ((3-Furan-2-yl-5-methylsulfanyl-[1,2,4]triazol-1-yl...) Show SMILES CSc1nc(nn1C(=O)c1ccccc1)-c1ccco1 Show InChI InChI=1S/C14H11N3O2S/c1-20-14-15-12(11-8-5-9-19-11)16-17(14)13(18)10-6-3-2-4-7-10/h2-9H,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	>5.00E+4	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