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BDBM38888 5-(4-chlorophenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine::MLS000068753::SMR000039803::[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amine::cid_658858

SMILES: Clc1ccc(cc1)-c1nnc(NC2=NCCCCC2)o1

InChI Key: InChIKey=WTJBFLDUSUCDMV-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 38888   
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
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM38888
PNG
(5-(4-chlorophenyl)-N-(3,4,5,6-tetrahydro-2H-azepin...)
Show SMILES Clc1ccc(cc1)-c1nnc(NC2=NCCCCC2)o1
Show InChI InChI=1S/C14H15ClN4O/c15-11-7-5-10(6-8-11)13-18-19-14(20-13)17-12-4-2-1-3-9-16-12/h5-8H,1-4,9H2,(H,16,17,19)
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n/an/a 1.23E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/cc700189b
BindingDB Entry DOI: 10.7270/Q2TH8K3N
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM38888
PNG
(5-(4-chlorophenyl)-N-(3,4,5,6-tetrahydro-2H-azepin...)
Show SMILES Clc1ccc(cc1)-c1nnc(NC2=NCCCCC2)o1
Show InChI InChI=1S/C14H15ClN4O/c15-11-7-5-10(6-8-11)13-18-19-14(20-13)17-12-4-2-1-3-9-16-12/h5-8H,1-4,9H2,(H,16,17,19)
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n/an/a>3.67E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/cc9001026
BindingDB Entry DOI: 10.7270/Q2PR7TCX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM38888
PNG
(5-(4-chlorophenyl)-N-(3,4,5,6-tetrahydro-2H-azepin...)
Show SMILES Clc1ccc(cc1)-c1nnc(NC2=NCCCCC2)o1
Show InChI InChI=1S/C14H15ClN4O/c15-11-7-5-10(6-8-11)13-18-19-14(20-13)17-12-4-2-1-3-9-16-12/h5-8H,1-4,9H2,(H,16,17,19)
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n/an/a>3.67E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM38888
PNG
(5-(4-chlorophenyl)-N-(3,4,5,6-tetrahydro-2H-azepin...)
Show SMILES Clc1ccc(cc1)-c1nnc(NC2=NCCCCC2)o1
Show InChI InChI=1S/C14H15ClN4O/c15-11-7-5-10(6-8-11)13-18-19-14(20-13)17-12-4-2-1-3-9-16-12/h5-8H,1-4,9H2,(H,16,17,19)
PDB
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n/an/a 1.50E+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/Q2RJ4GZT
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM38888
PNG
(5-(4-chlorophenyl)-N-(3,4,5,6-tetrahydro-2H-azepin...)
Show SMILES Clc1ccc(cc1)-c1nnc(NC2=NCCCCC2)o1
Show InChI InChI=1S/C14H15ClN4O/c15-11-7-5-10(6-8-11)13-18-19-14(20-13)17-12-4-2-1-3-9-16-12/h5-8H,1-4,9H2,(H,16,17,19)
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n/an/a 2.98E+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/Q2MS3R7H
More data for this
Ligand-Target Pair
SUMO-1-specific protease


(Homo sapiens (Human))
BDBM38888
PNG
(5-(4-chlorophenyl)-N-(3,4,5,6-tetrahydro-2H-azepin...)
Show SMILES Clc1ccc(cc1)-c1nnc(NC2=NCCCCC2)o1
Show InChI InChI=1S/C14H15ClN4O/c15-11-7-5-10(6-8-11)13-18-19-14(20-13)17-12-4-2-1-3-9-16-12/h5-8H,1-4,9H2,(H,16,17,19)
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n/an/a 3.01E+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/Q27H1H10
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM38888
PNG
(5-(4-chlorophenyl)-N-(3,4,5,6-tetrahydro-2H-azepin...)
Show SMILES Clc1ccc(cc1)-c1nnc(NC2=NCCCCC2)o1
Show InChI InChI=1S/C14H15ClN4O/c15-11-7-5-10(6-8-11)13-18-19-14(20-13)17-12-4-2-1-3-9-16-12/h5-8H,1-4,9H2,(H,16,17,19)
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n/an/a>3.67E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/cc060110n
BindingDB Entry DOI: 10.7270/Q2319T8T
More data for this
Ligand-Target Pair