BindingDB logo
myBDB logout

null

SMILES: Oc1cccc(c1)N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1

InChI Key: InChIKey=UZAAGXXNSDUWGE-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 = 79711   
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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM79711
PNG
(2-(3-hydroxyphenyl)-6-(1-piperidinyl)-1H-benzo[de]...)
Show SMILES Oc1cccc(c1)N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1
Show InChI InChI=1S/C23H20N2O3/c26-16-7-4-6-15(14-16)25-22(27)18-9-5-8-17-20(24-12-2-1-3-13-24)11-10-19(21(17)18)23(25)28/h4-11,14,26H,1-3,12-13H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.83E+3n/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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM79711
PNG
(2-(3-hydroxyphenyl)-6-(1-piperidinyl)-1H-benzo[de]...)
Show SMILES Oc1cccc(c1)N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1
Show InChI InChI=1S/C23H20N2O3/c26-16-7-4-6-15(14-16)25-22(27)18-9-5-8-17-20(24-12-2-1-3-13-24)11-10-19(21(17)18)23(25)28/h4-11,14,26H,1-3,12-13H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.24E+3n/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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM79711
PNG
(2-(3-hydroxyphenyl)-6-(1-piperidinyl)-1H-benzo[de]...)
Show SMILES Oc1cccc(c1)N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1
Show InChI InChI=1S/C23H20N2O3/c26-16-7-4-6-15(14-16)25-22(27)18-9-5-8-17-20(24-12-2-1-3-13-24)11-10-19(21(17)18)23(25)28/h4-11,14,26H,1-3,12-13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.41E+3n/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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair