Found 7 hits of Enzyme Inhibition Constant Data 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 |
|---|
Nuclear receptor subfamily 1 group D member 2
(Homo sapiens (Human)) | BDBM50366239
(CHEMBL1961797)Show SMILES CCCCCNC(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C23H31ClN4O3S/c1-2-3-4-12-25-23(29)27-13-11-19(16-27)15-26(14-18-5-7-20(24)8-6-18)17-21-9-10-22(32-21)28(30)31/h5-10,19H,2-4,11-17H2,1H3,(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Increased REV-ERB-beta LBD dependent repressor activity in HEK293 cell reporter assay |
Nature 485: 62-68 (2012)
Article DOI: 10.1038/nature11030
BindingDB Entry DOI: 10.7270/Q2445N00 |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group D member 1
(Homo sapiens (Human)) | BDBM50366239
(CHEMBL1961797)Show SMILES CCCCCNC(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C23H31ClN4O3S/c1-2-3-4-12-25-23(29)27-13-11-19(16-27)15-26(14-18-5-7-20(24)8-6-18)17-21-9-10-22(32-21)28(30)31/h5-10,19H,2-4,11-17H2,1H3,(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
REV-ERB-alpha mediated transcriptional suppression at Bmal1 promoter in HEK293 cell reporter assay |
Nature 485: 62-68 (2012)
Article DOI: 10.1038/nature11030
BindingDB Entry DOI: 10.7270/Q2445N00 |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group D member 1
(Homo sapiens (Human)) | BDBM50366238
(CHEMBL1961796)Show SMILES CCOC(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C20H24ClN3O4S/c1-2-28-20(25)23-10-9-16(13-23)12-22(11-15-3-5-17(21)6-4-15)14-18-7-8-19(29-18)24(26)27/h3-8,16H,2,9-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Increased REV-ERB-alpha LBD dependent repressor activity in HEK293 cell reporter assay |
Nature 485: 62-68 (2012)
Article DOI: 10.1038/nature11030
BindingDB Entry DOI: 10.7270/Q2445N00 |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group D member 1
(Homo sapiens (Human)) | BDBM50366238
(CHEMBL1961796)Show SMILES CCOC(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C20H24ClN3O4S/c1-2-28-20(25)23-10-9-16(13-23)12-22(11-15-3-5-17(21)6-4-15)14-18-7-8-19(29-18)24(26)27/h3-8,16H,2,9-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
REV-ERB-alpha mediated transcriptional suppression at Bmal1 promoter in HEK293 cell reporter assay |
Nature 485: 62-68 (2012)
Article DOI: 10.1038/nature11030
BindingDB Entry DOI: 10.7270/Q2445N00 |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group D member 1
(Homo sapiens (Human)) | BDBM50366239
(CHEMBL1961797)Show SMILES CCCCCNC(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C23H31ClN4O3S/c1-2-3-4-12-25-23(29)27-13-11-19(16-27)15-26(14-18-5-7-20(24)8-6-18)17-21-9-10-22(32-21)28(30)31/h5-10,19H,2-4,11-17H2,1H3,(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Increased REV-ERB-alpha LBD dependent repressor activity in HEK293 cell reporter assay |
Nature 485: 62-68 (2012)
Article DOI: 10.1038/nature11030
BindingDB Entry DOI: 10.7270/Q2445N00 |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group D member 2
(Homo sapiens (Human)) | BDBM50366238
(CHEMBL1961796)Show SMILES CCOC(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C20H24ClN3O4S/c1-2-28-20(25)23-10-9-16(13-23)12-22(11-15-3-5-17(21)6-4-15)14-18-7-8-19(29-18)24(26)27/h3-8,16H,2,9-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Increased REV-ERB-beta LBD dependent repressor activity in HEK293 cell reporter assay |
Nature 485: 62-68 (2012)
Article DOI: 10.1038/nature11030
BindingDB Entry DOI: 10.7270/Q2445N00 |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group D member 1
(Homo sapiens (Human)) | BDBM50366238
(CHEMBL1961796)Show SMILES CCOC(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C20H24ClN3O4S/c1-2-28-20(25)23-10-9-16(13-23)12-22(11-15-3-5-17(21)6-4-15)14-18-7-8-19(29-18)24(26)27/h3-8,16H,2,9-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Dissociation constant for binding to REV-ERB-alpha by circular dichroism |
Nature 485: 62-68 (2012)
Article DOI: 10.1038/nature11030
BindingDB Entry DOI: 10.7270/Q2445N00 |
More data for this
Ligand-Target Pair | |
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