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BDBM83208 6-tert-butyl-N-[(Z)-2-pyridinylmethylideneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide::6-tert-butyl-N-[(Z)-2-pyridylmethyleneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide::6-tert-butyl-N-[(Z)-pyridin-2-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide::MLS-0463045.0001::cid_5928021

SMILES: CC(C)(C)c1ccc2OCC(Oc2c1)C(=O)N\N=C/c1ccccn1

InChI Key: InChIKey=JDJGSIZJBSTISP-NHDPSOOVSA-N

Data: 2 IC50

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 = 83208   
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
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM83208
PNG
(6-tert-butyl-N-[(Z)-2-pyridinylmethylideneamino]-2...)
Show SMILES CC(C)(C)c1ccc2OCC(Oc2c1)C(=O)N\N=C/c1ccccn1
Show InChI InChI=1S/C19H21N3O3/c1-19(2,3)13-7-8-15-16(10-13)25-17(12-24-15)18(23)22-21-11-14-6-4-5-9-20-14/h4-11,17H,12H2,1-3H3,(H,22,23)/b21-11-
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.83E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QJ7FTF
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM83208
PNG
(6-tert-butyl-N-[(Z)-2-pyridinylmethylideneamino]-2...)
Show SMILES CC(C)(C)c1ccc2OCC(Oc2c1)C(=O)N\N=C/c1ccccn1
Show InChI InChI=1S/C19H21N3O3/c1-19(2,3)13-7-8-15-16(10-13)25-17(12-24-15)18(23)22-21-11-14-6-4-5-9-20-14/h4-11,17H,12H2,1-3H3,(H,22,23)/b21-11-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.88E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2B856NC
More data for this
Ligand-Target Pair