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 |
|---|
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM67258
((E)-N-[2-(cyclohexylamino)-2-keto-ethyl]-4-(2-hydr...)Show SMILES COc1ccc(C(=O)\C=C\C(=O)N(CC2CCCO2)CC(=O)NC2CCCCC2)c(O)c1 Show InChI InChI=1S/C24H32N2O6/c1-31-18-9-10-20(22(28)14-18)21(27)11-12-24(30)26(15-19-8-5-13-32-19)16-23(29)25-17-6-3-2-4-7-17/h9-12,14,17,19,28H,2-8,13,15-16H2,1H3,(H,25,29)/b12-11+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 2.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2012)
BindingDB Entry DOI: 10.7270/Q2T15278 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM67258
((E)-N-[2-(cyclohexylamino)-2-keto-ethyl]-4-(2-hydr...)Show SMILES COc1ccc(C(=O)\C=C\C(=O)N(CC2CCCO2)CC(=O)NC2CCCCC2)c(O)c1 Show InChI InChI=1S/C24H32N2O6/c1-31-18-9-10-20(22(28)14-18)21(27)11-12-24(30)26(15-19-8-5-13-32-19)16-23(29)25-17-6-3-2-4-7-17/h9-12,14,17,19,28H,2-8,13,15-16H2,1H3,(H,25,29)/b12-11+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 4.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Center for Chemical Genomics
Curated by PubChem BioAssay
| Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San... |
PubChem Bioassay (2010)
BindingDB Entry DOI: 10.7270/Q2MK6BBZ |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM67258
((E)-N-[2-(cyclohexylamino)-2-keto-ethyl]-4-(2-hydr...)Show SMILES COc1ccc(C(=O)\C=C\C(=O)N(CC2CCCO2)CC(=O)NC2CCCCC2)c(O)c1 Show InChI InChI=1S/C24H32N2O6/c1-31-18-9-10-20(22(28)14-18)21(27)11-12-24(30)26(15-19-8-5-13-32-19)16-23(29)25-17-6-3-2-4-7-17/h9-12,14,17,19,28H,2-8,13,15-16H2,1H3,(H,25,29)/b12-11+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 5.35E+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/Q2CJ8BXT |
More data for this
Ligand-Target Pair | |
Toll-like receptor 9
(Homo sapiens (Human)) | BDBM67258
((E)-N-[2-(cyclohexylamino)-2-keto-ethyl]-4-(2-hydr...)Show SMILES COc1ccc(C(=O)\C=C\C(=O)N(CC2CCCO2)CC(=O)NC2CCCCC2)c(O)c1 Show InChI InChI=1S/C24H32N2O6/c1-31-18-9-10-20(22(28)14-18)21(27)11-12-24(30)26(15-19-8-5-13-32-19)16-23(29)25-17-6-3-2-4-7-17/h9-12,14,17,19,28H,2-8,13,15-16H2,1H3,(H,25,29)/b12-11+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Beta-lactamase
(Pseudomonas aeruginosa) | BDBM67258
((E)-N-[2-(cyclohexylamino)-2-keto-ethyl]-4-(2-hydr...)Show SMILES COc1ccc(C(=O)\C=C\C(=O)N(CC2CCCO2)CC(=O)NC2CCCCC2)c(O)c1 Show InChI InChI=1S/C24H32N2O6/c1-31-18-9-10-20(22(28)14-18)21(27)11-12-24(30)26(15-19-8-5-13-32-19)16-23(29)25-17-6-3-2-4-7-17/h9-12,14,17,19,28H,2-8,13,15-16H2,1H3,(H,25,29)/b12-11+ | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 1.99E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2012)
BindingDB Entry DOI: 10.7270/Q2XS5T0R |
More data for this
Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa) | BDBM67258
((E)-N-[2-(cyclohexylamino)-2-keto-ethyl]-4-(2-hydr...)Show SMILES COc1ccc(C(=O)\C=C\C(=O)N(CC2CCCO2)CC(=O)NC2CCCCC2)c(O)c1 Show InChI InChI=1S/C24H32N2O6/c1-31-18-9-10-20(22(28)14-18)21(27)11-12-24(30)26(15-19-8-5-13-32-19)16-23(29)25-17-6-3-2-4-7-17/h9-12,14,17,19,28H,2-8,13,15-16H2,1H3,(H,25,29)/b12-11+ | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 2.33E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |