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BDBM57462 1-(3-chlorophenyl)-3-(3,3-diphenylpropyl)thiourea::MLS000573451::N-(3-chlorophenyl)-N'-(3,3-diphenylpropyl)thiourea::SMR000194953::cid_1336020

SMILES: Clc1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1

InChI Key: InChIKey=VCGXWLPGCSGFOR-UHFFFAOYSA-N

Data: 4 IC50  1 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 = 57462   
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
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM57462
PNG
(1-(3-chlorophenyl)-3-(3,3-diphenylpropyl)thiourea ...)
Show SMILES Clc1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C22H21ClN2S/c23-19-12-7-13-20(16-19)25-22(26)24-15-14-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,21H,14-15H2,(H2,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 1.53E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM57462
PNG
(1-(3-chlorophenyl)-3-(3,3-diphenylpropyl)thiourea ...)
Show SMILES Clc1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C22H21ClN2S/c23-19-12-7-13-20(16-19)25-22(26)24-15-14-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,21H,14-15H2,(H2,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 5.77E+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))
BDBM57462
PNG
(1-(3-chlorophenyl)-3-(3,3-diphenylpropyl)thiourea ...)
Show SMILES Clc1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C22H21ClN2S/c23-19-12-7-13-20(16-19)25-22(26)24-15-14-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,21H,14-15H2,(H2,24,25,26)
PDB

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n/an/a 6.96E+3n/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))
BDBM57462
PNG
(1-(3-chlorophenyl)-3-(3,3-diphenylpropyl)thiourea ...)
Show SMILES Clc1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C22H21ClN2S/c23-19-12-7-13-20(16-19)25-22(26)24-15-14-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,21H,14-15H2,(H2,24,25,26)
KEGG

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n/an/a 2.29E+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))
BDBM57462
PNG
(1-(3-chlorophenyl)-3-(3,3-diphenylpropyl)thiourea ...)
Show SMILES Clc1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C22H21ClN2S/c23-19-12-7-13-20(16-19)25-22(26)24-15-14-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,21H,14-15H2,(H2,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 7.27E+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