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SMILES: Cc1cccc(NC(=O)CSCC(=O)Nc2cc(ccc2N2CCOCC2)C(F)(F)F)c1

InChI Key: InChIKey=RFOMMGOCWDYUBF-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83862   
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)		BDBM83862
PNG
(2-[[2-keto-2-[2-morpholino-5-(trifluoromethyl)anil...)
Show SMILES Cc1cccc(NC(=O)CSCC(=O)Nc2cc(ccc2N2CCOCC2)C(F)(F)F)c1
Show InChI InChI=1S/C22H24F3N3O3S/c1-15-3-2-4-17(11-15)26-20(29)13-32-14-21(30)27-18-12-16(22(23,24)25)5-6-19(18)28-7-9-31-10-8-28/h2-6,11-12H,7-10,13-14H2,1H3,(H,26,29)(H,27,30)
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