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SMILES: NC1=NC(SCc2ccc(cc2)C#N)=C(C#N)C2(CCCCC2)C1c1nc(cs1)-c1ccccc1

InChI Key: InChIKey=NPUKZPNLKRCUCX-UHFFFAOYSA-N

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

Found 1 hit for monomerid = 83835   
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)		BDBM83835
PNG
(2-amino-4-[(4-cyanobenzyl)thio]-1-(4-phenylthiazol...)
Show SMILES NC1=NC(SCc2ccc(cc2)C#N)=C(C#N)C2(CCCCC2)C1c1nc(cs1)-c1ccccc1 |t:1,14|
Show InChI InChI=1S/C28H25N5S2/c29-15-19-9-11-20(12-10-19)17-34-26-22(16-30)28(13-5-2-6-14-28)24(25(31)33-26)27-32-23(18-35-27)21-7-3-1-4-8-21/h1,3-4,7-12,18,24H,2,5-6,13-14,17H2,(H2,31,33)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
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