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2 similar compounds to monomer 31071

Compile data set for download or QSAR
Wt: 326.8
BDBM39696
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Wt: 310.3
BDBM78067
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 39696,78067   
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
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM39696
PNG
((E)-3-[5-(1-azepanyl)-2-furanyl]-2-(4-chlorophenyl...)
Show SMILES Clc1ccc(cc1)C(=C/c1ccc(o1)N1CCCCCC1)\C#N
Show InChI InChI=1S/C19H19ClN2O/c20-17-7-5-15(6-8-17)16(14-21)13-18-9-10-19(23-18)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2/b16-13-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.99E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2MS3R5M
More data for this
Ligand-Target Pair
TPA: Essential protein of the mitochondrial intermembrane space


(Saccharomyces cerevisiae S288c)
BDBM78067
PNG
((E)-3-[5-(1-azepanyl)-2-furanyl]-2-(3-fluorophenyl...)
Show SMILES Fc1cccc(c1)C(=C/c1ccc(o1)N1CCCCCC1)\C#N
Show InChI InChI=1S/C19H19FN2O/c20-17-7-5-6-15(12-17)16(14-21)13-18-8-9-19(23-18)22-10-3-1-2-4-11-22/h5-9,12-13H,1-4,10-11H2/b16-13-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.49E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2F18X6W
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM39696
PNG
((E)-3-[5-(1-azepanyl)-2-furanyl]-2-(4-chlorophenyl...)
Show SMILES Clc1ccc(cc1)C(=C/c1ccc(o1)N1CCCCCC1)\C#N
Show InChI InChI=1S/C19H19ClN2O/c20-17-7-5-15(6-8-17)16(14-21)13-18-9-10-19(23-18)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2/b16-13-
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.77E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM39696
PNG
((E)-3-[5-(1-azepanyl)-2-furanyl]-2-(4-chlorophenyl...)
Show SMILES Clc1ccc(cc1)C(=C/c1ccc(o1)N1CCCCCC1)\C#N
Show InChI InChI=1S/C19H19ClN2O/c20-17-7-5-15(6-8-17)16(14-21)13-18-9-10-19(23-18)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2/b16-13-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair