Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 386.9 BDBM57898Purchase

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

Found 5 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)	BDBM57898 (1-[3,5-bis(fluoranyl)phenyl]-3-[3-(4-chlorophenyl)...) Show SMILES CC(CNC(=S)Nc1cc(F)cc(F)c1)CSc1ccc(Cl)cc1 Show InChI InChI=1S/C17H17ClF2N2S2/c1-11(10-24-16-4-2-12(18)3-5-16)9-21-17(23)22-15-7-13(19)6-14(20)8-15/h2-8,11H,9-10H2,1H3,(H2,21,22,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.34E+3	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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM57898 (1-[3,5-bis(fluoranyl)phenyl]-3-[3-(4-chlorophenyl)...) Show SMILES CC(CNC(=S)Nc1cc(F)cc(F)c1)CSc1ccc(Cl)cc1 Show InChI InChI=1S/C17H17ClF2N2S2/c1-11(10-24-16-4-2-12(18)3-5-16)9-21-17(23)22-15-7-13(19)6-14(20)8-15/h2-8,11H,9-10H2,1H3,(H2,21,22,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.34E+3	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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM57898 (1-[3,5-bis(fluoranyl)phenyl]-3-[3-(4-chlorophenyl)...) Show SMILES CC(CNC(=S)Nc1cc(F)cc(F)c1)CSc1ccc(Cl)cc1 Show InChI InChI=1S/C17H17ClF2N2S2/c1-11(10-24-16-4-2-12(18)3-5-16)9-21-17(23)22-15-7-13(19)6-14(20)8-15/h2-8,11H,9-10H2,1H3,(H2,21,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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
Methionine--tRNA ligase (Trypanosoma brucei brucei strain 927/4 GUTat10.1)	BDBM57898 (1-[3,5-bis(fluoranyl)phenyl]-3-[3-(4-chlorophenyl)...) Show SMILES CC(CNC(=S)Nc1cc(F)cc(F)c1)CSc1ccc(Cl)cc1 Show InChI InChI=1S/C17H17ClF2N2S2/c1-11(10-24-16-4-2-12(18)3-5-16)9-21-17(23)22-15-7-13(19)6-14(20)8-15/h2-8,11H,9-10H2,1H3,(H2,21,22,23)	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2XP73JZ
					More data for this Ligand-Target Pair
Streptokinase A (Streptococcus pyogenes M1 GAS)	BDBM57898 (1-[3,5-bis(fluoranyl)phenyl]-3-[3-(4-chlorophenyl)...) Show SMILES CC(CNC(=S)Nc1cc(F)cc(F)c1)CSc1ccc(Cl)cc1 Show InChI InChI=1S/C17H17ClF2N2S2/c1-11(10-24-16-4-2-12(18)3-5-16)9-21-17(23)22-15-7-13(19)6-14(20)8-15/h2-8,11H,9-10H2,1H3,(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2736PBV
					More data for this Ligand-Target Pair