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BDBM75622 1-cyclohexyl-3-[2-(3,4-diethoxyphenyl)ethanoylamino]thiourea::1-cyclohexyl-3-[[2-(3,4-diethoxyphenyl)-1-oxoethyl]amino]thiourea::1-cyclohexyl-3-[[2-(3,4-diethoxyphenyl)acetyl]amino]thiourea::MLS000580187::N-cyclohexyl-2-[(3,4-diethoxyphenyl)acetyl]hydrazinecarbothioamide::SMR000199718::cid_2954230

SMILES: CCOc1ccc(CC(=O)NNC(=S)NC2CCCCC2)cc1OCC

InChI Key: InChIKey=JCWNAGIGYFVMJL-UHFFFAOYSA-N

Data: 1 IC50  4 EC50

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 5 hits for monomerid = 75622   
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
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM75622
PNG
(1-cyclohexyl-3-[2-(3,4-diethoxyphenyl)ethanoylamin...)
Show SMILES CCOc1ccc(CC(=O)NNC(=S)NC2CCCCC2)cc1OCC
Show InChI InChI=1S/C19H29N3O3S/c1-3-24-16-11-10-14(12-17(16)25-4-2)13-18(23)21-22-19(26)20-15-8-6-5-7-9-15/h10-12,15H,3-9,13H2,1-2H3,(H,21,23)(H2,20,22,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.87E+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/Q2ST7N9K
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75622
PNG
(1-cyclohexyl-3-[2-(3,4-diethoxyphenyl)ethanoylamin...)
Show SMILES CCOc1ccc(CC(=O)NNC(=S)NC2CCCCC2)cc1OCC
Show InChI InChI=1S/C19H29N3O3S/c1-3-24-16-11-10-14(12-17(16)25-4-2)13-18(23)21-22-19(26)20-15-8-6-5-7-9-15/h10-12,15H,3-9,13H2,1-2H3,(H,21,23)(H2,20,22,26)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.09E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM75622
PNG
(1-cyclohexyl-3-[2-(3,4-diethoxyphenyl)ethanoylamin...)
Show SMILES CCOc1ccc(CC(=O)NNC(=S)NC2CCCCC2)cc1OCC
Show InChI InChI=1S/C19H29N3O3S/c1-3-24-16-11-10-14(12-17(16)25-4-2)13-18(23)21-22-19(26)20-15-8-6-5-7-9-15/h10-12,15H,3-9,13H2,1-2H3,(H,21,23)(H2,20,22,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.78E+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/Q2CF9NKD
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM75622
PNG
(1-cyclohexyl-3-[2-(3,4-diethoxyphenyl)ethanoylamin...)
Show SMILES CCOc1ccc(CC(=O)NNC(=S)NC2CCCCC2)cc1OCC
Show InChI InChI=1S/C19H29N3O3S/c1-3-24-16-11-10-14(12-17(16)25-4-2)13-18(23)21-22-19(26)20-15-8-6-5-7-9-15/h10-12,15H,3-9,13H2,1-2H3,(H,21,23)(H2,20,22,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.04E+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/Q20Z71R6
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM75622
PNG
(1-cyclohexyl-3-[2-(3,4-diethoxyphenyl)ethanoylamin...)
Show SMILES CCOc1ccc(CC(=O)NNC(=S)NC2CCCCC2)cc1OCC
Show InChI InChI=1S/C19H29N3O3S/c1-3-24-16-11-10-14(12-17(16)25-4-2)13-18(23)21-22-19(26)20-15-8-6-5-7-9-15/h10-12,15H,3-9,13H2,1-2H3,(H,21,23)(H2,20,22,26)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.72E+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/Q24Q7SF3
More data for this
Ligand-Target Pair