BDBM46017 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile::2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile::2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-4,6-dimethyl-nicotinonitrile::2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile::MLS-0315680.0001::cid_720372

SMILES: Cc1cc(C)c(C#N)c(SCC(=O)c2ccc(O)c(O)c2)n1

InChI Key: InChIKey=KMHRFXOYFNUYGF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 46017   

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
Alkaline phosphatase placental-like (Homo sapiens (Human))	BDBM46017 (2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4,6...) Show SMILES Cc1cc(C)c(C#N)c(SCC(=O)c2ccc(O)c(O)c2)n1 Show InChI InChI=1S/C16H14N2O3S/c1-9-5-10(2)18-16(12(9)7-17)22-8-15(21)11-3-4-13(19)14(20)6-11/h3-6,19-20H,8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.56E+3	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, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29S1PG8
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM46017 (2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4,6...) Show SMILES Cc1cc(C)c(C#N)c(SCC(=O)c2ccc(O)c(O)c2)n1 Show InChI InChI=1S/C16H14N2O3S/c1-9-5-10(2)18-16(12(9)7-17)22-8-15(21)11-3-4-13(19)14(20)6-11/h3-6,19-20H,8H2,1-2H3	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	6.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CR5RRG
					More data for this Ligand-Target Pair