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SMILES: COc1ccc(cc1OC)C(=O)NNC(=S)NC1CCCCC1

InChI Key: InChIKey=UMBMNHIANPTDOF-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 4 hits for monomerid = 43796   
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, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM43796
PNG
(1-cyclohexyl-3-(veratroylamino)thiourea | 1-cycloh...)
Show SMILES COc1ccc(cc1OC)C(=O)NNC(=S)NC1CCCCC1
Show InChI InChI=1S/C16H23N3O3S/c1-21-13-9-8-11(10-14(13)22-2)15(20)18-19-16(23)17-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,18,20)(H2,17,19,23)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.94E+4n/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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM43796
PNG
(1-cyclohexyl-3-(veratroylamino)thiourea | 1-cycloh...)
Show SMILES COc1ccc(cc1OC)C(=O)NNC(=S)NC1CCCCC1
Show InChI InChI=1S/C16H23N3O3S/c1-21-13-9-8-11(10-14(13)22-2)15(20)18-19-16(23)17-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,18,20)(H2,17,19,23)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.91E+4n/an/an/an/a



Sanford-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, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2N58JTN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM43796
PNG
(1-cyclohexyl-3-(veratroylamino)thiourea | 1-cycloh...)
Show SMILES COc1ccc(cc1OC)C(=O)NNC(=S)NC1CCCCC1
Show InChI InChI=1S/C16H23N3O3S/c1-21-13-9-8-11(10-14(13)22-2)15(20)18-19-16(23)17-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,18,20)(H2,17,19,23)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 7.49E+3n/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, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q26Q1VPD
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM43796
PNG
(1-cyclohexyl-3-(veratroylamino)thiourea | 1-cycloh...)
Show SMILES COc1ccc(cc1OC)C(=O)NNC(=S)NC1CCCCC1
Show InChI InChI=1S/C16H23N3O3S/c1-21-13-9-8-11(10-14(13)22-2)15(20)18-19-16(23)17-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,18,20)(H2,17,19,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+5n/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, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29S1PG8
More data for this
Ligand-Target Pair