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SMILES: COc1cc2CC(C)(C)n3c(nnc3-c2cc1OC)-c1cccs1

InChI Key: InChIKey=IONTWORZCRVBQQ-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 = 83821   
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)		BDBM83821
PNG
(8,9-dimethoxy-5,5-dimethyl-3-(2-thienyl)-6H-[1,2,4...)
Show SMILES COc1cc2CC(C)(C)n3c(nnc3-c2cc1OC)-c1cccs1
Show InChI InChI=1S/C18H19N3O2S/c1-18(2)10-11-8-13(22-3)14(23-4)9-12(11)16-19-20-17(21(16)18)15-6-5-7-24-15/h5-9H,10H2,1-4H3
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