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BDBM313186 US10167261, Compound Quinabactin

SMILES: CCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(C)cc3)ccc12

InChI Key: InChIKey=IVHKSUMLZQXFPR-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 2 PDB IDs match this monomer.

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 = 313186   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PYR2-HAB1


(Arabidopsis thaliana (Mouse-ear cress))
BDBM313186
PNG
(US10167261, Compound Quinabactin)
Show SMILES CCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(C)cc3)ccc12
Show InChI InChI=1S/C20H24N2O3S/c1-3-12-22-19-10-9-18(13-17(19)8-11-20(22)23)21-26(24,25)14-16-6-4-15(2)5-7-16/h4-7,9-10,13,21H,3,8,11-12,14H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
US Patent
n/an/a 262n/an/an/an/an/an/a



University of California

US Patent


Assay Description
HAB1 and PYL proteins were expressed and purified as described in Park et al. ((2009) Science 324(5930):1068-1071), with minor modifications. To obta...


US Patent US10167261 (2019)


BindingDB Entry DOI: 10.7270/Q2HQ420V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PYR1-HAB1


(Arabidopsis thaliana (Mouse-ear cress))
BDBM313186
PNG
(US10167261, Compound Quinabactin)
Show SMILES CCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(C)cc3)ccc12
Show InChI InChI=1S/C20H24N2O3S/c1-3-12-22-19-10-9-18(13-17(19)8-11-20(22)23)21-26(24,25)14-16-6-4-15(2)5-7-16/h4-7,9-10,13,21H,3,8,11-12,14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
US Patent
n/an/a 104n/an/an/an/an/an/a



University of California

US Patent


Assay Description
HAB1 and PYL proteins were expressed and purified as described in Park et al. ((2009) Science 324(5930):1068-1071), with minor modifications. To obta...


US Patent US10167261 (2019)


BindingDB Entry DOI: 10.7270/Q2HQ420V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)