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SMILES: [H]C12CCC([H])(CC(O)(C1)c1ccc(OC)cc1)N2c1cc(C)nc(n1)-c1ccccc1

InChI Key: InChIKey=KWDYFRJIOOERNJ-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 2 hits for monomerid = 60997   
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
Mitochondrial import inner membrane translocase subunit TIM10


(Saccharomyces cerevisiae S288c)
BDBM60997
PNG
(3-(4-Methoxy-phenyl)-8-(6-methyl-2-phenyl-pyrimidi...)
Show SMILES [H]C12CCC([H])(CC(O)(C1)c1ccc(OC)cc1)N2c1cc(C)nc(n1)-c1ccccc1 |TLB:8:7:18:2.3,THB:10:7:18:2.3|
Show InChI InChI=1S/C25H27N3O2/c1-17-14-23(27-24(26-17)18-6-4-3-5-7-18)28-20-10-11-21(28)16-25(29,15-20)19-8-12-22(30-2)13-9-19/h3-9,12-14,20-21,29H,10-11,15-16H2,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.82E+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(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F18X6W
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM60997
PNG
(3-(4-Methoxy-phenyl)-8-(6-methyl-2-phenyl-pyrimidi...)
Show SMILES [H]C12CCC([H])(CC(O)(C1)c1ccc(OC)cc1)N2c1cc(C)nc(n1)-c1ccccc1 |TLB:8:7:18:2.3,THB:10:7:18:2.3|
Show InChI InChI=1S/C25H27N3O2/c1-17-14-23(27-24(26-17)18-6-4-3-5-7-18)28-20-10-11-21(28)16-25(29,15-20)19-8-12-22(30-2)13-9-19/h3-9,12-14,20-21,29H,10-11,15-16H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 7.35E+3n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair