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SMILES: O=C(Nc1ccccc1)NC1(CCCCC1)C(=O)N1CCN(CC1)C(=O)c1ccco1

InChI Key: InChIKey=VEQASQOCMXAYTH-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 = 39578   
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, germ cell type


(Homo sapiens (Human))
BDBM39578
PNG
(1-[1-[4-(2-furoyl)piperazine-1-carbonyl]cyclohexyl...)
Show SMILES O=C(Nc1ccccc1)NC1(CCCCC1)C(=O)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C23H28N4O4/c28-20(19-10-7-17-31-19)26-13-15-27(16-14-26)21(29)23(11-5-2-6-12-23)25-22(30)24-18-8-3-1-4-9-18/h1,3-4,7-10,17H,2,5-6,11-16H2,(H2,24,25,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 3.56E+4n/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
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM39578
PNG
(1-[1-[4-(2-furoyl)piperazine-1-carbonyl]cyclohexyl...)
Show SMILES O=C(Nc1ccccc1)NC1(CCCCC1)C(=O)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C23H28N4O4/c28-20(19-10-7-17-31-19)26-13-15-27(16-14-26)21(29)23(11-5-2-6-12-23)25-22(30)24-18-8-3-1-4-9-18/h1,3-4,7-10,17H,2,5-6,11-16H2,(H2,24,25,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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