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BDBM83882 2-(1-naphthalenyl)-5-benzotriazolamine::2-naphthalen-1-ylbenzotriazol-5-amine::MLS000109464::SMR000105407::[2-(1-naphthyl)benzotriazol-5-yl]amine::cid_721129

SMILES: Nc1ccc2nn(nc2c1)-c1cccc2ccccc12

InChI Key: InChIKey=YMGWUQOUHMKTFE-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 83882   
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
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM83882
PNG
(2-(1-naphthalenyl)-5-benzotriazolamine | 2-naphtha...)
Show SMILES Nc1ccc2nn(nc2c1)-c1cccc2ccccc12
Show InChI InChI=1S/C16H12N4/c17-12-8-9-14-15(10-12)19-20(18-14)16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,17H2
PDB
MMDB

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n/an/a 5.00E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM83882
PNG
(2-(1-naphthalenyl)-5-benzotriazolamine | 2-naphtha...)
Show SMILES Nc1ccc2nn(nc2c1)-c1cccc2ccccc12
Show InChI InChI=1S/C16H12N4/c17-12-8-9-14-15(10-12)19-20(18-14)16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,17H2
PDB

KEGG

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UniProtKB/TrEMBL

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n/an/a 1.28E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (Human))
BDBM83882
PNG
(2-(1-naphthalenyl)-5-benzotriazolamine | 2-naphtha...)
Show SMILES Nc1ccc2nn(nc2c1)-c1cccc2ccccc12
Show InChI InChI=1S/C16H12N4/c17-12-8-9-14-15(10-12)19-20(18-14)16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,17H2
PDB
MMDB

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n/an/a 1.88E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM83882
PNG
(2-(1-naphthalenyl)-5-benzotriazolamine | 2-naphtha...)
Show SMILES Nc1ccc2nn(nc2c1)-c1cccc2ccccc12
Show InChI InChI=1S/C16H12N4/c17-12-8-9-14-15(10-12)19-20(18-14)16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,17H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
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UniChem

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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
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair