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BDBM304609 (S)-1-((4,4-dimethylcyclohexyl)methyl)-4-(3-(methylsulfonyl)phenyl)-2-phenylpiperazine::US10144715, Compound 48-4

SMILES: CC1(C)CCC(CC1)C(=O)N1CCN(C[C@@H]1c1ccccc1)c1cccc(c1)S(C)(=O)=O

InChI Key: InChIKey=OCSBWUNDZQJSRW-XMMPIXPASA-N

Data: 2 KI  2 EC50

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 4 hits for monomerid = 304609   
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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304609
PNG
((S)-1-((4,4-dimethylcyclohexyl)methyl)-4-(3-(methy...)
Show SMILES CC1(C)CCC(CC1)C(=O)N1CCN(C[C@@H]1c1ccccc1)c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C26H34N2O3S/c1-26(2)14-12-21(13-15-26)25(29)28-17-16-27(19-24(28)20-8-5-4-6-9-20)22-10-7-11-23(18-22)32(3,30)31/h4-11,18,21,24H,12-17,19H2,1-3H3/t24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
10n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...


US Patent US10144715 (2018)

More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM304609
PNG
((S)-1-((4,4-dimethylcyclohexyl)methyl)-4-(3-(methy...)
Show SMILES CC1(C)CCC(CC1)C(=O)N1CCN(C[C@@H]1c1ccccc1)c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C26H34N2O3S/c1-26(2)14-12-21(13-15-26)25(29)28-17-16-27(19-24(28)20-8-5-4-6-9-20)22-10-7-11-23(18-22)32(3,30)31/h4-11,18,21,24H,12-17,19H2,1-3H3/t24-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
39n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...


US Patent US10144715 (2018)

More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304609
PNG
((S)-1-((4,4-dimethylcyclohexyl)methyl)-4-(3-(methy...)
Show SMILES CC1(C)CCC(CC1)C(=O)N1CCN(C[C@@H]1c1ccccc1)c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C26H34N2O3S/c1-26(2)14-12-21(13-15-26)25(29)28-17-16-27(19-24(28)20-8-5-4-6-9-20)22-10-7-11-23(18-22)32(3,30)31/h4-11,18,21,24H,12-17,19H2,1-3H3/t24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 18n/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
This assay is based on the ability of the LXR-LBDs (LXRα and LXRβ) to recruit and interact with a co-activator peptide. This assay was run ...


US Patent US10144715 (2018)

More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM304609
PNG
((S)-1-((4,4-dimethylcyclohexyl)methyl)-4-(3-(methy...)
Show SMILES CC1(C)CCC(CC1)C(=O)N1CCN(C[C@@H]1c1ccccc1)c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C26H34N2O3S/c1-26(2)14-12-21(13-15-26)25(29)28-17-16-27(19-24(28)20-8-5-4-6-9-20)22-10-7-11-23(18-22)32(3,30)31/h4-11,18,21,24H,12-17,19H2,1-3H3/t24-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 301n/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
This assay is based on the ability of the LXR-LBDs (LXRα and LXRβ) to recruit and interact with a co-activator peptide. This assay was run ...


US Patent US10144715 (2018)

More data for this
Ligand-Target Pair