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SMILES: [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)c1cccc(Cn2nc(C)c(Br)c2C)c1

InChI Key: InChIKey=OTOOVFDIROSTTJ-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 = 74473   
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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74473
PNG
(MLS000549501 | N-(1-adamantyl)-3-[(4-bromanyl-3,5-...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)c1cccc(Cn2nc(C)c(Br)c2C)c1 |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:5:6:11:3.12.2|
Show InChI InChI=1S/C23H28BrN3O/c1-14-21(24)15(2)27(26-14)13-16-4-3-5-20(9-16)22(28)25-23-10-17-6-18(11-23)8-19(7-17)12-23/h3-5,9,17-19H,6-8,10-13H2,1-2H3,(H,25,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+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, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24748BK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74473
PNG
(MLS000549501 | N-(1-adamantyl)-3-[(4-bromanyl-3,5-...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)c1cccc(Cn2nc(C)c(Br)c2C)c1 |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:5:6:11:3.12.2|
Show InChI InChI=1S/C23H28BrN3O/c1-14-21(24)15(2)27(26-14)13-16-4-3-5-20(9-16)22(28)25-23-10-17-6-18(11-23)8-19(7-17)12-23/h3-5,9,17-19H,6-8,10-13H2,1-2H3,(H,25,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+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, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RTC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM74473
PNG
(MLS000549501 | N-(1-adamantyl)-3-[(4-bromanyl-3,5-...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)c1cccc(Cn2nc(C)c(Br)c2C)c1 |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:5:6:11:3.12.2|
Show InChI InChI=1S/C23H28BrN3O/c1-14-21(24)15(2)27(26-14)13-16-4-3-5-20(9-16)22(28)25-23-10-17-6-18(11-23)8-19(7-17)12-23/h3-5,9,17-19H,6-8,10-13H2,1-2H3,(H,25,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2VQ314Z
More data for this
Ligand-Target Pair