BindingDB logo
myBDB logout

9 similar compounds to monomer 50306080

Compile data set for download or QSAR
Wt: 440.9
BDBM50306075
Wt: 447.3
BDBM50306079
Wt: 475.3
BDBM50306081
Wt: 465.3
BDBM50306082
Wt: 501.3
BDBM50306083
Wt: 412.8
BDBM50306056
Wt: 426.9
BDBM50306059
Wt: 440.9
BDBM50306061
Wt: 466.8
BDBM50306064

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50306075,50306079,50306081,50306082,50306083,50306056,50306059,50306061,50306064   
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))
BDBM50306081
PNG
(4-chloro-1-(2-chloro-5-(3-(isopropylsulfonyl)pheno...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2ccc(Cl)c(c2)-n2c(C)nc3c(Cl)cccc23)c1
Show InChI InChI=1S/C23H20Cl2N2O3S/c1-14(2)31(28,29)18-7-4-6-16(12-18)30-17-10-11-19(24)22(13-17)27-15(3)26-23-20(25)8-5-9-21(23)27/h4-14H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRbeta LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306083
PNG
(4-chloro-1-(2-chloro-5-(3-(trifluoromethylsulfonyl...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cccc(c2)S(=O)(=O)C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C21H13Cl2F3N2O3S/c1-12-27-20-17(23)6-3-7-18(20)28(12)19-11-14(8-9-16(19)22)31-13-4-2-5-15(10-13)32(29,30)21(24,25)26/h2-11H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306079
PNG
(4-chloro-1-(2-chloro-5-(3-(methylsulfonyl)phenoxy)...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cccc(c2)S(C)(=O)=O)ccc1Cl
Show InChI InChI=1S/C21H16Cl2N2O3S/c1-13-24-21-18(23)7-4-8-19(21)25(13)20-12-15(9-10-17(20)22)28-14-5-3-6-16(11-14)29(2,26)27/h3-12H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRbeta LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306082
PNG
(4-chloro-1-(2-chloro-5-(3-fluoro-5-(methylsulfonyl...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cc(F)cc(c2)S(C)(=O)=O)ccc1Cl
Show InChI InChI=1S/C21H15Cl2FN2O3S/c1-12-25-21-18(23)4-3-5-19(21)26(12)20-11-14(6-7-17(20)22)29-15-8-13(24)9-16(10-15)30(2,27)28/h3-11H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRbeta LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306059
PNG
(4-chloro-1-(3-(3-(ethylsulfonyl)phenoxy)phenyl)-2-...)
Show SMILES CCS(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(C)nc3c(Cl)cccc23)c1
Show InChI InChI=1S/C22H19ClN2O3S/c1-3-29(26,27)19-10-5-9-18(14-19)28-17-8-4-7-16(13-17)25-15(2)24-22-20(23)11-6-12-21(22)25/h4-14H,3H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 99n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRbeta LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306064
PNG
(4-chloro-2-methyl-1-(3-(3-(trifluoromethylsulfonyl...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(c2)S(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C21H14ClF3N2O3S/c1-13-26-20-18(22)9-4-10-19(20)27(13)14-5-2-6-15(11-14)30-16-7-3-8-17(12-16)31(28,29)21(23,24)25/h2-12H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 183n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRbeta LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306083
PNG
(4-chloro-1-(2-chloro-5-(3-(trifluoromethylsulfonyl...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cccc(c2)S(=O)(=O)C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C21H13Cl2F3N2O3S/c1-12-27-20-17(23)6-3-7-18(20)28(12)19-11-14(8-9-16(19)22)31-13-4-2-5-15(10-13)32(29,30)21(24,25)26/h2-11H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 85n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRbeta LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306061
PNG
(4-chloro-1-(3-(3-(isopropylsulfonyl)phenoxy)phenyl...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(C)nc3c(Cl)cccc23)c1
Show InChI InChI=1S/C23H21ClN2O3S/c1-15(2)30(27,28)20-10-5-9-19(14-20)29-18-8-4-7-17(13-18)26-16(3)25-23-21(24)11-6-12-22(23)26/h4-15H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 138n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRbeta LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306075
PNG
(4-chloro-2-isopropyl-1-(3-(3-(methylsulfonyl)pheno...)
Show SMILES CC(C)c1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1
Show InChI InChI=1S/C23H21ClN2O3S/c1-15(2)23-25-22-20(24)11-6-12-21(22)26(23)16-7-4-8-17(13-16)29-18-9-5-10-19(14-18)30(3,27)28/h4-15H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRbeta LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306056
PNG
(4-chloro-2-methyl-1-(3-(3-(methylsulfonyl)phenoxy)...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1
Show InChI InChI=1S/C21H17ClN2O3S/c1-14-23-21-19(22)10-5-11-20(21)24(14)15-6-3-7-16(12-15)27-17-8-4-9-18(13-17)28(2,25)26/h3-13H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.30n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306059
PNG
(4-chloro-1-(3-(3-(ethylsulfonyl)phenoxy)phenyl)-2-...)
Show SMILES CCS(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(C)nc3c(Cl)cccc23)c1
Show InChI InChI=1S/C22H19ClN2O3S/c1-3-29(26,27)19-10-5-9-18(14-19)28-17-8-4-7-16(13-17)25-15(2)24-22-20(23)11-6-12-21(22)25/h4-14H,3H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.10n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306061
PNG
(4-chloro-1-(3-(3-(isopropylsulfonyl)phenoxy)phenyl...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(C)nc3c(Cl)cccc23)c1
Show InChI InChI=1S/C23H21ClN2O3S/c1-15(2)30(27,28)20-10-5-9-19(14-20)29-18-8-4-7-17(13-18)26-16(3)25-23-21(24)11-6-12-22(23)26/h4-15H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.60n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306064
PNG
(4-chloro-2-methyl-1-(3-(3-(trifluoromethylsulfonyl...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(c2)S(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C21H14ClF3N2O3S/c1-13-26-20-18(22)9-4-10-19(20)27(13)14-5-2-6-15(11-14)30-16-7-3-8-17(12-16)31(28,29)21(23,24)25/h2-12H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306075
PNG
(4-chloro-2-isopropyl-1-(3-(3-(methylsulfonyl)pheno...)
Show SMILES CC(C)c1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1
Show InChI InChI=1S/C23H21ClN2O3S/c1-15(2)23-25-22-20(24)11-6-12-21(22)26(23)16-7-4-8-17(13-16)29-18-9-5-10-19(14-18)30(3,27)28/h4-15H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306079
PNG
(4-chloro-1-(2-chloro-5-(3-(methylsulfonyl)phenoxy)...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cccc(c2)S(C)(=O)=O)ccc1Cl
Show InChI InChI=1S/C21H16Cl2N2O3S/c1-13-24-21-18(23)7-4-8-19(21)25(13)20-12-15(9-10-17(20)22)28-14-5-3-6-16(11-14)29(2,26)27/h3-12H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306081
PNG
(4-chloro-1-(2-chloro-5-(3-(isopropylsulfonyl)pheno...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2ccc(Cl)c(c2)-n2c(C)nc3c(Cl)cccc23)c1
Show InChI InChI=1S/C23H20Cl2N2O3S/c1-14(2)31(28,29)18-7-4-6-16(12-18)30-17-10-11-19(24)22(13-17)27-15(3)26-23-20(25)8-5-9-21(23)27/h4-14H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306082
PNG
(4-chloro-1-(2-chloro-5-(3-fluoro-5-(methylsulfonyl...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cc(F)cc(c2)S(C)(=O)=O)ccc1Cl
Show InChI InChI=1S/C21H15Cl2FN2O3S/c1-12-25-21-18(23)4-3-5-19(21)26(12)20-11-14(6-7-17(20)22)29-15-8-13(24)9-16(10-15)30(2,27)28/h3-11H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.70n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306056
PNG
(4-chloro-2-methyl-1-(3-(3-(methylsulfonyl)phenoxy)...)
Show SMILES Cc1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1
Show InChI InChI=1S/C21H17ClN2O3S/c1-14-23-21-19(22)10-5-11-20(21)24(14)15-6-3-7-16(12-15)27-17-8-4-9-18(13-17)28(2,25)26/h3-13H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRbeta LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair