BDBM96471 3-[(2E)-2-(1-cyano-2-oxo-2-phenylethylidene)hydrazinyl]-5-(methylthio)-4-propan-2-ylsulfonyl-2-thiophenecarboxylic acid methyl ester::3-[(N'E)-N'-(1-cyano-2-keto-2-phenyl-ethylidene)hydrazino]-4-isopropylsulfonyl-5-(methylthio)thiophene-2-carboxylic acid methyl ester::MLS000859225::SMR000459404::cid_6375278::methyl 3-[(2E)-2-(1-cyano-2-oxidanylidene-2-phenyl-ethylidene)hydrazinyl]-5-methylsulfanyl-4-propan-2-ylsulfonyl-thiophene-2-carboxylate::methyl 3-[(2E)-2-(1-cyano-2-oxo-2-phenylethylidene)hydrazinyl]-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate::methyl 3-[2-(1-cyano-2-oxo-2-phenylethylidene)hydrazino]-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate

SMILES: COC(=O)c1sc(SC)c(c1NN=C(C#N)C(=O)c1ccccc1)S(=O)(=O)C(C)C

InChI Key: InChIKey=IPLFWVOFBNKJTJ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 96471   

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
Homo sapiens huntingtin (HTT), mRNA (Homo sapiens (Human))	BDBM96471 (3-[(2E)-2-(1-cyano-2-oxo-2-phenylethylidene)hydraz...) Show SMILES COC(=O)c1sc(SC)c(c1NN=C(C#N)C(=O)c1ccccc1)S(=O)(=O)C(C)C |w:12.12| Show InChI InChI=1S/C19H19N3O5S3/c1-11(2)30(25,26)17-14(16(18(24)27-3)29-19(17)28-4)22-21-13(10-20)15(23)12-8-6-5-7-9-12/h5-9,11,22H,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	561	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/Q2N58K09
					More data for this Ligand-Target Pair