BindingDB logo
myBDB logout

BDBM168091 US9073931, E11a::US9073931, E11b

SMILES: CCCC(O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C

InChI Key: InChIKey=WZDFAJOVHXXHKS-ROPPNANJSA-N

Data: 4 KI

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 = 168091   
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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM168091
PNG
(US9073931, E11a | US9073931, E11b)
Show SMILES CCCC(O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C
Show InChI InChI=1S/C24H30F3N5O4S/c1-5-6-18(34)15-11-28-23(30-21(15)24(25,26)27)32-8-7-31-17-10-19(37(4,35)36)14(12-33)9-16(17)29-22(31)20(32)13(2)3/h9-11,13,18,20,33-34H,5-8,12H2,1-4H3/t18?,20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

160n/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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168091
PNG
(US9073931, E11a | US9073931, E11b)
Show SMILES CCCC(O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C
Show InChI InChI=1S/C24H30F3N5O4S/c1-5-6-18(34)15-11-28-23(30-21(15)24(25,26)27)32-8-7-31-17-10-19(37(4,35)36)14(12-33)9-16(17)29-22(31)20(32)13(2)3/h9-11,13,18,20,33-34H,5-8,12H2,1-4H3/t18?,20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

23n/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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM168091
PNG
(US9073931, E11a | US9073931, E11b)
Show SMILES CCCC(O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C
Show InChI InChI=1S/C24H30F3N5O4S/c1-5-6-18(34)15-11-28-23(30-21(15)24(25,26)27)32-8-7-31-17-10-19(37(4,35)36)14(12-33)9-16(17)29-22(31)20(32)13(2)3/h9-11,13,18,20,33-34H,5-8,12H2,1-4H3/t18?,20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

14n/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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM168091
PNG
(US9073931, E11a | US9073931, E11b)
Show SMILES CCCC(O)c1cnc(nc1C(F)(F)F)N1CCn2c(nc3cc(CO)c(cc23)S(C)(=O)=O)[C@H]1C(C)C
Show InChI InChI=1S/C24H30F3N5O4S/c1-5-6-18(34)15-11-28-23(30-21(15)24(25,26)27)32-8-7-31-17-10-19(37(4,35)36)14(12-33)9-16(17)29-22(31)20(32)13(2)3/h9-11,13,18,20,33-34H,5-8,12H2,1-4H3/t18?,20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

236n/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 US9073931 (2015)


BindingDB Entry DOI: 10.7270/Q26W98VC
More data for this
Ligand-Target Pair