BDBM54956 6-cycloheptyl-3-(2-pyridinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole::6-cycloheptyl-3-(2-pyridyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole::6-cycloheptyl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole::VU0364706-1::cid_44236878

SMILES: C1CCCC(CC1)c1nn2c(nnc2s1)-c1ccccn1

InChI Key: InChIKey=XFODYCJPUWOREI-UHFFFAOYSA-N

Data: 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 3 hits for monomerid = 54956   

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))	BDBM54956 (6-cycloheptyl-3-(2-pyridinyl)-[1,2,4]triazolo[3,4-...) Show SMILES C1CCCC(CC1)c1nn2c(nnc2s1)-c1ccccn1 Show InChI InChI=1S/C15H17N5S/c1-2-4-8-11(7-3-1)14-19-20-13(17-18-15(20)21-14)12-9-5-6-10-16-12/h5-6,9-11H,1-4,7-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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))	BDBM54956 (6-cycloheptyl-3-(2-pyridinyl)-[1,2,4]triazolo[3,4-...) Show SMILES C1CCCC(CC1)c1nn2c(nnc2s1)-c1ccccn1 Show InChI InChI=1S/C15H17N5S/c1-2-4-8-11(7-3-1)14-19-20-13(17-18-15(20)21-14)12-9-5-6-10-16-12/h5-6,9-11H,1-4,7-8H2	MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	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
Mitogen-activated protein kinase kinase kinase kinase 2 (Homo sapiens (Human))	BDBM54956 (6-cycloheptyl-3-(2-pyridinyl)-[1,2,4]triazolo[3,4-...) Show SMILES C1CCCC(CC1)c1nn2c(nnc2s1)-c1ccccn1 Show InChI InChI=1S/C15H17N5S/c1-2-4-8-11(7-3-1)14-19-20-13(17-18-15(20)21-14)12-9-5-6-10-16-12/h5-6,9-11H,1-4,7-8H2	MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	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