BDBM54958 6-(3-methoxyphenyl)-3-(2-pyridinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole::6-(3-methoxyphenyl)-3-(2-pyridyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole::6-(3-methoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole::VU0221125-3::cid_662681

SMILES: COc1cccc(c1)-c1nn2c(nnc2s1)-c1ccccn1

InChI Key: InChIKey=QNZVYNNESTWZBU-UHFFFAOYSA-N

Data: 2 IC50  3 EC50

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 5 hits for monomerid = 54958   

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
mitogen-activated protein kinase kinase kinase 3 isoform 1 (Homo sapiens (Human))	BDBM54958 (6-(3-methoxyphenyl)-3-(2-pyridinyl)-[1,2,4]triazol...) Show SMILES COc1cccc(c1)-c1nn2c(nnc2s1)-c1ccccn1 Show InChI InChI=1S/C15H11N5OS/c1-21-11-6-4-5-10(9-11)14-19-20-13(17-18-15(20)22-14)12-7-2-3-8-16-12/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2Q81BH4
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2 (Homo sapiens (Human))	BDBM54958 (6-(3-methoxyphenyl)-3-(2-pyridinyl)-[1,2,4]triazol...) Show SMILES COc1cccc(c1)-c1nn2c(nnc2s1)-c1ccccn1 Show InChI InChI=1S/C15H11N5OS/c1-21-11-6-4-5-10(9-11)14-19-20-13(17-18-15(20)22-14)12-7-2-3-8-16-12/h2-9H,1H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KH0KRZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM54958 (6-(3-methoxyphenyl)-3-(2-pyridinyl)-[1,2,4]triazol...) Show SMILES COc1cccc(c1)-c1nn2c(nnc2s1)-c1ccccn1 Show InChI InChI=1S/C15H11N5OS/c1-21-11-6-4-5-10(9-11)14-19-20-13(17-18-15(20)22-14)12-7-2-3-8-16-12/h2-9H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 3 receptor in rat cortical membrane using [3H]GR-65630 as radioligand				J Med Chem 60: 2148-2154 (2017) Article DOI: 10.1021/acs.jmedchem.6b01786 BindingDB Entry DOI: 10.7270/Q2BR8VGZ
					More data for this Ligand-Target Pair
TPA: Essential protein of the mitochondrial intermembrane space (Saccharomyces cerevisiae S288c)	BDBM54958 (6-(3-methoxyphenyl)-3-(2-pyridinyl)-[1,2,4]triazol...) Show SMILES COc1cccc(c1)-c1nn2c(nnc2s1)-c1ccccn1 Show InChI InChI=1S/C15H11N5OS/c1-21-11-6-4-5-10(9-11)14-19-20-13(17-18-15(20)22-14)12-7-2-3-8-16-12/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F18X6W
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2 (Homo sapiens (Human))	BDBM54958 (6-(3-methoxyphenyl)-3-(2-pyridinyl)-[1,2,4]triazol...) Show SMILES COc1cccc(c1)-c1nn2c(nnc2s1)-c1ccccn1 Show InChI InChI=1S/C15H11N5OS/c1-21-11-6-4-5-10(9-11)14-19-20-13(17-18-15(20)22-14)12-7-2-3-8-16-12/h2-9H,1H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2FQ9V13
					More data for this Ligand-Target Pair