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SMILES: C1CCCC(CC1)Nc1ccc2cn[nH]c2c1

InChI Key: InChIKey=FQVOTPQJHZEYQL-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 = 34645   
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
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM34645
PNG
(MLS000106918 | N-cycloheptyl-1H-indazol-6-amine | ...)
Show SMILES C1CCCC(CC1)Nc1ccc2cn[nH]c2c1
Show InChI InChI=1S/C14H19N3/c1-2-4-6-12(5-3-1)16-13-8-7-11-10-15-17-14(11)9-13/h7-10,12,16H,1-6H2,(H,15,17)
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PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM34645
PNG
(MLS000106918 | N-cycloheptyl-1H-indazol-6-amine | ...)
Show SMILES C1CCCC(CC1)Nc1ccc2cn[nH]c2c1
Show InChI InChI=1S/C14H19N3/c1-2-4-6-12(5-3-1)16-13-8-7-11-10-15-17-14(11)9-13/h7-10,12,16H,1-6H2,(H,15,17)
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UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



Sanford-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/Q2C827QV
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (Human))
BDBM34645
PNG
(MLS000106918 | N-cycloheptyl-1H-indazol-6-amine | ...)
Show SMILES C1CCCC(CC1)Nc1ccc2cn[nH]c2c1
Show InChI InChI=1S/C14H19N3/c1-2-4-6-12(5-3-1)16-13-8-7-11-10-15-17-14(11)9-13/h7-10,12,16H,1-6H2,(H,15,17)
PDB
MMDB

NCI pathway
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B.MOAD
antibodypedia
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PC sid
UniChem
PCBioAssay
n/an/a 6.37E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


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


(Homo sapiens (Human))
BDBM34645
PNG
(MLS000106918 | N-cycloheptyl-1H-indazol-6-amine | ...)
Show SMILES C1CCCC(CC1)Nc1ccc2cn[nH]c2c1
Show InChI InChI=1S/C14H19N3/c1-2-4-6-12(5-3-1)16-13-8-7-11-10-15-17-14(11)9-13/h7-10,12,16H,1-6H2,(H,15,17)
PDB
MMDB

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PC sid
UniChem
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
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM34645
PNG
(MLS000106918 | N-cycloheptyl-1H-indazol-6-amine | ...)
Show SMILES C1CCCC(CC1)Nc1ccc2cn[nH]c2c1
Show InChI InChI=1S/C14H19N3/c1-2-4-6-12(5-3-1)16-13-8-7-11-10-15-17-14(11)9-13/h7-10,12,16H,1-6H2,(H,15,17)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.94E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair