Found 6 hits in this display Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
DNA damage-inducible transcript 3 protein
(Mus musculus) | BDBM54199
(2-(1-adamantyl)acetic acid [2-(6-amino-1-isobutyl-...)Show SMILES [H]C12CC3([H])CC([H])(C1)CC(CC(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)(C2)C3 |TLB:8:1:33:6.9.5,8:6:33:1.32.2,THB:5:6:32:3.33.2| Show InChI InChI=1S/C23H33N3O5/c1-13(2)11-26-20(24)19(21(29)25(3)22(26)30)17(27)12-31-18(28)10-23-7-14-4-15(8-23)6-16(5-14)9-23/h13-16H,4-12,24H2,1-3H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center
Curated by PubChem BioAssay
| Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... |
PubChem Bioassay (2010)
BindingDB Entry DOI: 10.7270/Q2PC30VZ |
More data for this
Ligand-Target Pair | |
DNA damage-inducible transcript 3 protein
(Mus musculus) | BDBM54199
(2-(1-adamantyl)acetic acid [2-(6-amino-1-isobutyl-...)Show SMILES [H]C12CC3([H])CC([H])(C1)CC(CC(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)(C2)C3 |TLB:8:1:33:6.9.5,8:6:33:1.32.2,THB:5:6:32:3.33.2| Show InChI InChI=1S/C23H33N3O5/c1-13(2)11-26-20(24)19(21(29)25(3)22(26)30)17(27)12-31-18(28)10-23-7-14-4-15(8-23)6-16(5-14)9-23/h13-16H,4-12,24H2,1-3H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center
Curated by PubChem BioAssay
| Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... |
PubChem Bioassay (2011)
BindingDB Entry DOI: 10.7270/Q28C9TQN |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM54199
(2-(1-adamantyl)acetic acid [2-(6-amino-1-isobutyl-...)Show SMILES [H]C12CC3([H])CC([H])(C1)CC(CC(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)(C2)C3 |TLB:8:1:33:6.9.5,8:6:33:1.32.2,THB:5:6:32:3.33.2| Show InChI InChI=1S/C23H33N3O5/c1-13(2)11-26-20(24)19(21(29)25(3)22(26)30)17(27)12-31-18(28)10-23-7-14-4-15(8-23)6-16(5-14)9-23/h13-16H,4-12,24H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 2.31E+3 | n/a | n/a | n/a | n/a | n/a | n/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/Q25M6443 |
More data for this
Ligand-Target Pair | |
Nucleotide-binding oligomerization domain-containing protein 2
(Homo sapiens (Human)) | BDBM54199
(2-(1-adamantyl)acetic acid [2-(6-amino-1-isobutyl-...)Show SMILES [H]C12CC3([H])CC([H])(C1)CC(CC(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)(C2)C3 |TLB:8:1:33:6.9.5,8:6:33:1.32.2,THB:5:6:32:3.33.2| Show InChI InChI=1S/C23H33N3O5/c1-13(2)11-26-20(24)19(21(29)25(3)22(26)30)17(27)12-31-18(28)10-23-7-14-4-15(8-23)6-16(5-14)9-23/h13-16H,4-12,24H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 3.31E+3 | n/a | n/a | n/a | n/a | n/a | n/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/Q23R0R8T |
More data for this
Ligand-Target Pair | |
X-box-binding protein 1
(Homo sapiens (Human)) | BDBM54199
(2-(1-adamantyl)acetic acid [2-(6-amino-1-isobutyl-...)Show SMILES [H]C12CC3([H])CC([H])(C1)CC(CC(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)(C2)C3 |TLB:8:1:33:6.9.5,8:6:33:1.32.2,THB:5:6:32:3.33.2| Show InChI InChI=1S/C23H33N3O5/c1-13(2)11-26-20(24)19(21(29)25(3)22(26)30)17(27)12-31-18(28)10-23-7-14-4-15(8-23)6-16(5-14)9-23/h13-16H,4-12,24H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center
Curated by PubChem BioAssay
| Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... |
PubChem Bioassay (2011)
BindingDB Entry DOI: 10.7270/Q2NK3CGB |
More data for this
Ligand-Target Pair | |
Nucleotide-binding oligomerization domain-containing protein 1
(Homo sapiens (Human)) | BDBM54199
(2-(1-adamantyl)acetic acid [2-(6-amino-1-isobutyl-...)Show SMILES [H]C12CC3([H])CC([H])(C1)CC(CC(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)(C2)C3 |TLB:8:1:33:6.9.5,8:6:33:1.32.2,THB:5:6:32:3.33.2| Show InChI InChI=1S/C23H33N3O5/c1-13(2)11-26-20(24)19(21(29)25(3)22(26)30)17(27)12-31-18(28)10-23-7-14-4-15(8-23)6-16(5-14)9-23/h13-16H,4-12,24H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 3.06E+3 | n/a | n/a | n/a | n/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/Q2CN72C0 |
More data for this
Ligand-Target Pair | |