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SMILES: Brc1ccc(o1)C(=O)Nc1ccc2nn(nc2c1)-c1ccccc1

InChI Key: InChIKey=ANUSERGRZUCQHP-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 3 hits for monomerid = 38389   
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
Diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM38389
PNG
(5-bromanyl-N-(2-phenylbenzotriazol-5-yl)furan-2-ca...)
Show SMILES Brc1ccc(o1)C(=O)Nc1ccc2nn(nc2c1)-c1ccccc1
Show InChI InChI=1S/C17H11BrN4O2/c18-16-9-8-15(24-16)17(23)19-11-6-7-13-14(10-11)21-22(20-13)12-4-2-1-3-5-12/h1-10H,(H,19,23)
KEGG

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.26E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1


(Homo sapiens (Human))
BDBM38389
PNG
(5-bromanyl-N-(2-phenylbenzotriazol-5-yl)furan-2-ca...)
Show SMILES Brc1ccc(o1)C(=O)Nc1ccc2nn(nc2c1)-c1ccccc1
Show InChI InChI=1S/C17H11BrN4O2/c18-16-9-8-15(24-16)17(23)19-11-6-7-13-14(10-11)21-22(20-13)12-4-2-1-3-5-12/h1-10H,(H,19,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.62E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM38389
PNG
(5-bromanyl-N-(2-phenylbenzotriazol-5-yl)furan-2-ca...)
Show SMILES Brc1ccc(o1)C(=O)Nc1ccc2nn(nc2c1)-c1ccccc1
Show InChI InChI=1S/C17H11BrN4O2/c18-16-9-8-15(24-16)17(23)19-11-6-7-13-14(10-11)21-22(20-13)12-4-2-1-3-5-12/h1-10H,(H,19,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/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: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair