BDBM50095836 CHEMBL3590544
SMILES: CN1CCN(Cc2cc(CNC3(CCCC3)c3ccccc3F)ccc2O)CC1
InChI Key: InChIKey=GFTOWFOBXYNWNR-IJXDZORUSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50095836 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Nuclear receptor subfamily 1 group D member 1
(Homo sapiens (Human)) | BDBM50095836
(CHEMBL3590544)Show SMILES CN1CCN(Cc2cc(CNC3(CCCC3)c3ccccc3F)ccc2O)CC1 Show InChI InChI=1S/C14H20N6O4/c1-3-6(2)19-13(23)10-8(21)9(22)14(24-10)20-5-18-7-11(15)16-4-17-12(7)20/h4-6,8-10,14,21-22H,3H2,1-2H3,(H,19,23)(H2,15,16,17)/t6?,8?,9?,10-,14+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group D member 2
(Homo sapiens (Human)) | BDBM50095836
(CHEMBL3590544)Show SMILES CN1CCN(Cc2cc(CNC3(CCCC3)c3ccccc3F)ccc2O)CC1 Show InChI InChI=1S/C14H20N6O4/c1-3-6(2)19-13(23)10-8(21)9(22)14(24-10)20-5-18-7-11(15)16-4-17-12(7)20/h4-6,8-10,14,21-22H,3H2,1-2H3,(H,19,23)(H2,15,16,17)/t6?,8?,9?,10-,14+/m0/s1 | 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 | 1.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fondazione Istituto Italiano di Tecnologia
Curated by ChEMBL
| Assay Description
Inhibition of REV-ERBbeta (unknown origin) expressed in HEK293 cells incubated for 24 hrs assessed as inhibition of receptor-mediated transcriptional... |
J Med Chem 58: 5900-15 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00511
BindingDB Entry DOI: 10.7270/Q26H4K40 |
More data for this
Ligand-Target Pair | |
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