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BDBM39089 2-(5-bromanyl-2-chloranyl-phenyl)-1,3-benzoxazol-5-amine::2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-amine::MLS000036810::SMR000036737::[2-(5-bromo-2-chloro-phenyl)-1,3-benzoxazol-5-yl]amine::cid_659499

SMILES: Nc1ccc2oc(nc2c1)-c1cc(Br)ccc1Cl

InChI Key: InChIKey=VHHFGVFUDZMDCD-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 39089   
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))
BDBM39089
PNG
(2-(5-bromanyl-2-chloranyl-phenyl)-1,3-benzoxazol-5...)
Show SMILES Nc1ccc2oc(nc2c1)-c1cc(Br)ccc1Cl
Show InChI InChI=1S/C13H8BrClN2O/c14-7-1-3-10(15)9(5-7)13-17-11-6-8(16)2-4-12(11)18-13/h1-6H,16H2
PDB
MMDB

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n/an/a 2.32E+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)


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


(Homo sapiens (Human))
BDBM39089
PNG
(2-(5-bromanyl-2-chloranyl-phenyl)-1,3-benzoxazol-5...)
Show SMILES Nc1ccc2oc(nc2c1)-c1cc(Br)ccc1Cl
Show InChI InChI=1S/C13H8BrClN2O/c14-7-1-3-10(15)9(5-7)13-17-11-6-8(16)2-4-12(11)18-13/h1-6H,16H2
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n/an/a 6.62E+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)


BindingDB Entry DOI: 10.7270/Q2PR7TCX
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM39089
PNG
(2-(5-bromanyl-2-chloranyl-phenyl)-1,3-benzoxazol-5...)
Show SMILES Nc1ccc2oc(nc2c1)-c1cc(Br)ccc1Cl
Show InChI InChI=1S/C13H8BrClN2O/c14-7-1-3-10(15)9(5-7)13-17-11-6-8(16)2-4-12(11)18-13/h1-6H,16H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM39089
PNG
(2-(5-bromanyl-2-chloranyl-phenyl)-1,3-benzoxazol-5...)
Show SMILES Nc1ccc2oc(nc2c1)-c1cc(Br)ccc1Cl
Show InChI InChI=1S/C13H8BrClN2O/c14-7-1-3-10(15)9(5-7)13-17-11-6-8(16)2-4-12(11)18-13/h1-6H,16H2
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n/an/a 210n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM39089
PNG
(2-(5-bromanyl-2-chloranyl-phenyl)-1,3-benzoxazol-5...)
Show SMILES Nc1ccc2oc(nc2c1)-c1cc(Br)ccc1Cl
Show InChI InChI=1S/C13H8BrClN2O/c14-7-1-3-10(15)9(5-7)13-17-11-6-8(16)2-4-12(11)18-13/h1-6H,16H2
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n/an/a 350n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM39089
PNG
(2-(5-bromanyl-2-chloranyl-phenyl)-1,3-benzoxazol-5...)
Show SMILES Nc1ccc2oc(nc2c1)-c1cc(Br)ccc1Cl
Show InChI InChI=1S/C13H8BrClN2O/c14-7-1-3-10(15)9(5-7)13-17-11-6-8(16)2-4-12(11)18-13/h1-6H,16H2
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n/an/a 350n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair