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SMILES: Cc1cc(C)nc(SC2C(NS(=O)(=O)c3ccccc3)c3cccc4cccc2c34)n1

InChI Key: InChIKey=FBSDGWKMSGQFEF-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83771   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83771
PNG
(MLS000580953 | N-[2-(4,6-Dimethyl-pyrimidin-2-ylsu...)
Show SMILES Cc1cc(C)nc(SC2C(NS(=O)(=O)c3ccccc3)c3cccc4cccc2c34)n1
Show InChI InChI=1S/C24H21N3O2S2/c1-15-14-16(2)26-24(25-15)30-23-20-13-7-9-17-8-6-12-19(21(17)20)22(23)27-31(28,29)18-10-4-3-5-11-18/h3-14,22-23,27H,1-2H3
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>5.96E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair