Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 494.3 BDBM67812Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67812 (5-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]me...) Show SMILES FC(F)(F)c1cnc(Cc2ccc(s2)S(=O)(=O)NN=Cc2ccc(Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C18H12Cl2F3N3O2S2/c19-13-3-1-11(2-4-13)9-25-26-30(27,28)17-6-5-14(29-17)8-16-15(20)7-12(10-24-16)18(21,22)23/h1-7,9-10,26H,8H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67812 (5-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]me...) Show SMILES FC(F)(F)c1cnc(Cc2ccc(s2)S(=O)(=O)NN=Cc2ccc(Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C18H12Cl2F3N3O2S2/c19-13-3-1-11(2-4-13)9-25-26-30(27,28)17-6-5-14(29-17)8-16-15(20)7-12(10-24-16)18(21,22)23/h1-7,9-10,26H,8H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM67812 (5-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]me...) Show SMILES FC(F)(F)c1cnc(Cc2ccc(s2)S(=O)(=O)NN=Cc2ccc(Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C18H12Cl2F3N3O2S2/c19-13-3-1-11(2-4-13)9-25-26-30(27,28)17-6-5-14(29-17)8-16-15(20)7-12(10-24-16)18(21,22)23/h1-7,9-10,26H,8H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM67812 (5-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]me...) Show SMILES FC(F)(F)c1cnc(Cc2ccc(s2)S(=O)(=O)NN=Cc2ccc(Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C18H12Cl2F3N3O2S2/c19-13-3-1-11(2-4-13)9-25-26-30(27,28)17-6-5-14(29-17)8-16-15(20)7-12(10-24-16)18(21,22)23/h1-7,9-10,26H,8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2B856KG
					More data for this Ligand-Target Pair