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BDBM76177 1-(5-chloranyl-2-methoxy-phenyl)-3-(3,3-diphenylpropyl)thiourea::1-(5-chloro-2-methoxy-phenyl)-3-(3,3-diphenylpropyl)thiourea::1-(5-chloro-2-methoxyphenyl)-3-(3,3-diphenylpropyl)thiourea::MLS000581257::N-(5-chloro-2-methoxyphenyl)-N'-(3,3-diphenylpropyl)thiourea::SMR000199871::cid_2029536

SMILES: COc1ccc(Cl)cc1NC(=S)NCCC(c1ccccc1)c1ccccc1

InChI Key: InChIKey=IRKOSHQSNJCEBD-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 76177   
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))
BDBM76177
PNG
(1-(5-chloranyl-2-methoxy-phenyl)-3-(3,3-diphenylpr...)
Show SMILES COc1ccc(Cl)cc1NC(=S)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H23ClN2OS/c1-27-22-13-12-19(24)16-21(22)26-23(28)25-15-14-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,16,20H,14-15H2,1H3,(H2,25,26,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.59E+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/Q2X63KDM
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM76177
PNG
(1-(5-chloranyl-2-methoxy-phenyl)-3-(3,3-diphenylpr...)
Show SMILES COc1ccc(Cl)cc1NC(=S)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H23ClN2OS/c1-27-22-13-12-19(24)16-21(22)26-23(28)25-15-14-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,16,20H,14-15H2,1H3,(H2,25,26,28)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.13E+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/Q2DB809V
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76177
PNG
(1-(5-chloranyl-2-methoxy-phenyl)-3-(3,3-diphenylpr...)
Show SMILES COc1ccc(Cl)cc1NC(=S)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H23ClN2OS/c1-27-22-13-12-19(24)16-21(22)26-23(28)25-15-14-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,16,20H,14-15H2,1H3,(H2,25,26,28)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.39E+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/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM76177
PNG
(1-(5-chloranyl-2-methoxy-phenyl)-3-(3,3-diphenylpr...)
Show SMILES COc1ccc(Cl)cc1NC(=S)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H23ClN2OS/c1-27-22-13-12-19(24)16-21(22)26-23(28)25-15-14-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,16,20H,14-15H2,1H3,(H2,25,26,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.94E+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/Q2NS0SCW
More data for this
Ligand-Target Pair