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SMILES: OC(=O)C(Sc1nc(cc(-c2ccco2)c1C#N)-c1ccco1)c1ccccc1

InChI Key: InChIKey=OYGRVXNTRMXXHD-UHFFFAOYSA-N

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 = 429398   
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
Acetyl-CoA carboxylase


(Corn smut fungus)		BDBM429398
PNG
(2-((3-cyano-4,6-di(furan-2- yl)pyridin-2-yl)thio)-...)
Show SMILES OC(=O)C(Sc1nc(cc(-c2ccco2)c1C#N)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C22H14N2O4S/c23-13-16-15(18-8-4-10-27-18)12-17(19-9-5-11-28-19)24-21(16)29-20(22(25)26)14-6-2-1-3-7-14/h1-12,20H,(H,25,26)
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.04E+3n/an/an/an/an/an/a


TBA

Assay Description
In order to effectively screen out non-specific modulators of pyruvate kinase and lactate dehydrogenase (the coupled portion of the reaction), a PK/L...

Citation and Details

BindingDB Entry DOI: 10.7270/Q200059Q
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase


(Zea mays)		BDBM429398
PNG
(2-((3-cyano-4,6-di(furan-2- yl)pyridin-2-yl)thio)-...)
Show SMILES OC(=O)C(Sc1nc(cc(-c2ccco2)c1C#N)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C22H14N2O4S/c23-13-16-15(18-8-4-10-27-18)12-17(19-9-5-11-28-19)24-21(16)29-20(22(25)26)14-6-2-1-3-7-14/h1-12,20H,(H,25,26)
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.04E+3n/an/an/an/an/an/a



Monsanto Technology LLC

US Patent


Assay Description
Ustilago maydis acetyl CoA carboxylase (ACCase) was cloned, expressed, and purified as described (Weatherly et al, Biochem. J., 2004) and the test co...

US Patent US10548313 (2020)


BindingDB Entry DOI: 10.7270/Q2F1923K
More data for this
Ligand-Target Pair