BindingDB logo
myBDB logout

null

SMILES: C1CCCC2(CC1)Nc1cccc3cccc(N2)c13

InChI Key: InChIKey=DHXWVWPVLLJSRG-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 4 hits for monomerid = 40647   
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 subfamily 4 group A member 1


(Homo sapiens (Human))
BDBM40647
PNG
(1'H,3'H-spiro[cycloheptane-1,2'-perimi...)
Show SMILES C1CCCC2(CC1)Nc1cccc3cccc(N2)c13
Show InChI InChI=1S/C17H20N2/c1-2-4-12-17(11-3-1)18-14-9-5-7-13-8-6-10-15(19-17)16(13)14/h5-10,18-19H,1-4,11-12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 7.84E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (Human))
BDBM40647
PNG
(1'H,3'H-spiro[cycloheptane-1,2'-perimi...)
Show SMILES C1CCCC2(CC1)Nc1cccc3cccc(N2)c13
Show InChI InChI=1S/C17H20N2/c1-2-4-12-17(11-3-1)18-14-9-5-7-13-8-6-10-15(19-17)16(13)14/h5-10,18-19H,1-4,11-12H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 2.25E+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 protease-activating factor 1


(Homo sapiens (Human))
BDBM40647
PNG
(1'H,3'H-spiro[cycloheptane-1,2'-perimi...)
Show SMILES C1CCCC2(CC1)Nc1cccc3cccc(N2)c13
Show InChI InChI=1S/C17H20N2/c1-2-4-12-17(11-3-1)18-14-9-5-7-13-8-6-10-15(19-17)16(13)14/h5-10,18-19H,1-4,11-12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

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))
BDBM40647
PNG
(1'H,3'H-spiro[cycloheptane-1,2'-perimi...)
Show SMILES C1CCCC2(CC1)Nc1cccc3cccc(N2)c13
Show InChI InChI=1S/C17H20N2/c1-2-4-12-17(11-3-1)18-14-9-5-7-13-8-6-10-15(19-17)16(13)14/h5-10,18-19H,1-4,11-12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 6.58E+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