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SMILES: Cc1ccc(C)c(NC(=S)NC(NC(=O)Cc2cccc3ccccc23)C(Cl)(Cl)Cl)c1

InChI Key: InChIKey=CAUFRMPZPMZEQG-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 5 hits for monomerid = 39730   
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))
BDBM39730
PNG
(2-(1-naphthalenyl)-N-[2,2,2-trichloro-1-[[(2,5-dim...)
Show SMILES Cc1ccc(C)c(NC(=S)NC(NC(=O)Cc2cccc3ccccc23)C(Cl)(Cl)Cl)c1
Show InChI InChI=1S/C23H22Cl3N3OS/c1-14-10-11-15(2)19(12-14)27-22(31)29-21(23(24,25)26)28-20(30)13-17-8-5-7-16-6-3-4-9-18(16)17/h3-12,21H,13H2,1-2H3,(H,28,30)(H2,27,29,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PCBioAssay
n/an/a 2.75E+4n/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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM39730
PNG
(2-(1-naphthalenyl)-N-[2,2,2-trichloro-1-[[(2,5-dim...)
Show SMILES Cc1ccc(C)c(NC(=S)NC(NC(=O)Cc2cccc3ccccc23)C(Cl)(Cl)Cl)c1
Show InChI InChI=1S/C23H22Cl3N3OS/c1-14-10-11-15(2)19(12-14)27-22(31)29-21(23(24,25)26)28-20(30)13-17-8-5-7-16-6-3-4-9-18(16)17/h3-12,21H,13H2,1-2H3,(H,28,30)(H2,27,29,31)
KEGG

UniProtKB/SwissProt

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PCBioAssay
n/an/a>1.00E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RRG
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM39730
PNG
(2-(1-naphthalenyl)-N-[2,2,2-trichloro-1-[[(2,5-dim...)
Show SMILES Cc1ccc(C)c(NC(=S)NC(NC(=O)Cc2cccc3ccccc23)C(Cl)(Cl)Cl)c1
Show InChI InChI=1S/C23H22Cl3N3OS/c1-14-10-11-15(2)19(12-14)27-22(31)29-21(23(24,25)26)28-20(30)13-17-8-5-7-16-6-3-4-9-18(16)17/h3-12,21H,13H2,1-2H3,(H,28,30)(H2,27,29,31)
Reactome pathway
KEGG

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antibodypedia
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PCBioAssay
n/an/an/an/a 5.84E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM39730
PNG
(2-(1-naphthalenyl)-N-[2,2,2-trichloro-1-[[(2,5-dim...)
Show SMILES Cc1ccc(C)c(NC(=S)NC(NC(=O)Cc2cccc3ccccc23)C(Cl)(Cl)Cl)c1
Show InChI InChI=1S/C23H22Cl3N3OS/c1-14-10-11-15(2)19(12-14)27-22(31)29-21(23(24,25)26)28-20(30)13-17-8-5-7-16-6-3-4-9-18(16)17/h3-12,21H,13H2,1-2H3,(H,28,30)(H2,27,29,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 6.31E+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))
BDBM39730
PNG
(2-(1-naphthalenyl)-N-[2,2,2-trichloro-1-[[(2,5-dim...)
Show SMILES Cc1ccc(C)c(NC(=S)NC(NC(=O)Cc2cccc3ccccc23)C(Cl)(Cl)Cl)c1
Show InChI InChI=1S/C23H22Cl3N3OS/c1-14-10-11-15(2)19(12-14)27-22(31)29-21(23(24,25)26)28-20(30)13-17-8-5-7-16-6-3-4-9-18(16)17/h3-12,21H,13H2,1-2H3,(H,28,30)(H2,27,29,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 1.15E+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 (2009)


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