Found 34 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 |
|---|
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50034777
(CHEMBL3360973)Show SMILES CC(C)(O)c1cn(c(Cc2ccccc2C(F)(F)F)n1)-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C27H25F3N2O3S/c1-26(2,33)24-17-32(25(31-24)16-20-7-4-5-10-23(20)27(28,29)30)21-13-11-18(12-14-21)19-8-6-9-22(15-19)36(3,34)35/h4-15,17,33H,16H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRalpha (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50034776
(CHEMBL3360974)Show SMILES CC(C)(O)c1cn(c(Cc2ccccc2Cl)n1)-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C26H25ClN2O3S/c1-26(2,30)24-17-29(25(28-24)16-20-7-4-5-10-23(20)27)21-13-11-18(12-14-21)19-8-6-9-22(15-19)33(3,31)32/h4-15,17,30H,16H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 85 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRalpha (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50034778
(CHEMBL3360972)Show SMILES CC(C)(O)c1cn(c(n1)-c1c(Cl)cccc1Cl)-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O |(.07,-55.05,;1.6,-55.21,;2.22,-56.62,;.5,-56.3,;2.5,-53.97,;4.04,-53.97,;4.53,-52.5,;3.27,-51.6,;2.03,-52.51,;3.27,-50.06,;1.94,-49.3,;.61,-50.08,;1.93,-47.77,;3.27,-46.98,;4.61,-47.75,;4.61,-49.29,;6.09,-48.88,;5.84,-51.71,;7.18,-52.45,;8.5,-51.66,;8.47,-50.12,;7.12,-49.38,;5.8,-50.17,;9.79,-49.32,;11.14,-50.07,;12.45,-49.27,;12.42,-47.73,;11.06,-46.99,;9.75,-47.79,;11.02,-45.45,;12.34,-44.64,;9.53,-45.04,;10.62,-43.95,)| Show InChI InChI=1S/C25H22Cl2N2O3S/c1-25(2,30)22-15-29(24(28-22)23-20(26)8-5-9-21(23)27)18-12-10-16(11-13-18)17-6-4-7-19(14-17)33(3,31)32/h4-15,30H,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 670 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRbeta (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50034782
(CHEMBL3360968)Show SMILES COC(=O)c1cc(-c2ccc(s2)-c2cccc(c2)S(C)(=O)=O)n(n1)-c1ccccc1Cl Show InChI InChI=1S/C22H17ClN2O4S2/c1-29-22(26)17-13-19(25(24-17)18-9-4-3-8-16(18)23)21-11-10-20(30-21)14-6-5-7-15(12-14)31(2,27)28/h3-13H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 65 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRalpha (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50034789
(CHEMBL3360962)Show SMILES Cc1cc(CC(O)=O)ccc1-c1ccc(s1)-c1cc(c(C#N)c(=O)n1Cc1ccc(F)cc1F)C(F)(F)F Show InChI InChI=1S/C27H17F5N2O3S/c1-14-8-15(9-25(35)36)2-5-18(14)23-6-7-24(38-23)22-11-20(27(30,31)32)19(12-33)26(37)34(22)13-16-3-4-17(28)10-21(16)29/h2-8,10-11H,9,13H2,1H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 570 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRalpha (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50034777
(CHEMBL3360973)Show SMILES CC(C)(O)c1cn(c(Cc2ccccc2C(F)(F)F)n1)-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C27H25F3N2O3S/c1-26(2,33)24-17-32(25(31-24)16-20-7-4-5-10-23(20)27(28,29)30)21-13-11-18(12-14-21)19-8-6-9-22(15-19)36(3,34)35/h4-15,17,33H,16H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRbeta (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50034779
(CHEMBL3360971)Show SMILES CC(C)(O)c1cn(c(n1)-c1ccccc1Cl)-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C25H23ClN2O3S/c1-25(2,29)23-16-28(24(27-23)21-9-4-5-10-22(21)26)19-13-11-17(12-14-19)18-7-6-8-20(15-18)32(3,30)31/h4-16,29H,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 600 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRbeta (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50034781
(CHEMBL3360969)Show SMILES CC(C)(O)c1cc(-c2ccc(s2)-c2cccc(c2)S(C)(=O)=O)n(n1)-c1ccccc1Cl Show InChI InChI=1S/C23H21ClN2O3S2/c1-23(2,27)22-14-19(26(25-22)18-10-5-4-9-17(18)24)21-12-11-20(30-21)15-7-6-8-16(13-15)31(3,28)29/h4-14,27H,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 620 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRbeta (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50034788
(CHEMBL3360963)Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(s1)-c1cc(nn1Cc1ccc(F)cc1F)C(F)(F)F Show InChI InChI=1S/C22H15F5N2O2S2/c1-33(30,31)16-4-2-3-13(9-16)19-7-8-20(32-19)18-11-21(22(25,26)27)28-29(18)12-14-5-6-15(23)10-17(14)24/h2-11H,12H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRbeta (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50034790
(CHEMBL3360961)Show SMILES Fc1ccc(Cn2c(cc(c(C#N)c2=O)C(F)(F)F)-c2ccc(Oc3ccccc3)cc2)c(F)c1 Show InChI InChI=1S/C26H15F5N2O2/c27-18-9-6-17(23(28)12-18)15-33-24(13-22(26(29,30)31)21(14-32)25(33)34)16-7-10-20(11-8-16)35-19-4-2-1-3-5-19/h1-13H,15H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRbeta (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50034775
(CHEMBL3360975 | US10543183, Compound 38 | US109459...)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C28H29ClN2O3S/c1-27(2,23-11-6-7-12-24(23)29)26-30-25(28(3,4)32)18-31(26)21-15-13-19(14-16-21)20-9-8-10-22(17-20)35(5,33)34/h6-18,32H,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 250 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRbeta (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50034780
(CHEMBL3360970)Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(cc1)-n1cc(nc1-c1ccccc1Cl)C(F)(F)F Show InChI InChI=1S/C23H16ClF3N2O2S/c1-32(30,31)18-6-4-5-16(13-18)15-9-11-17(12-10-15)29-14-21(23(25,26)27)28-22(29)19-7-2-3-8-20(19)24/h2-14H,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 61 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRbeta (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50034781
(CHEMBL3360969)Show SMILES CC(C)(O)c1cc(-c2ccc(s2)-c2cccc(c2)S(C)(=O)=O)n(n1)-c1ccccc1Cl Show InChI InChI=1S/C23H21ClN2O3S2/c1-23(2,27)22-14-19(26(25-22)18-10-5-4-9-17(18)24)21-12-11-20(30-21)15-7-6-8-16(13-15)31(3,28)29/h4-14,27H,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 540 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRalpha (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50034784
(CHEMBL3360966)Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(cc1)-c1cc(nn1-c1ccccc1Cl)C(F)(F)F Show InChI InChI=1S/C23H16ClF3N2O2S/c1-32(30,31)18-6-4-5-17(13-18)15-9-11-16(12-10-15)21-14-22(23(25,26)27)28-29(21)20-8-3-2-7-19(20)24/h2-14H,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 220 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRalpha (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50034790
(CHEMBL3360961)Show SMILES Fc1ccc(Cn2c(cc(c(C#N)c2=O)C(F)(F)F)-c2ccc(Oc3ccccc3)cc2)c(F)c1 Show InChI InChI=1S/C26H15F5N2O2/c27-18-9-6-17(23(28)12-18)15-33-24(13-22(26(29,30)31)21(14-32)25(33)34)16-7-10-20(11-8-16)35-19-4-2-1-3-5-19/h1-13H,15H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRalpha (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50034791
(CHEMBL3360960)Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(s1)-c1cc(c(C#N)c(=O)n1Cc1ccc(F)cc1F)C(F)(F)F Show InChI InChI=1S/C25H15F5N2O3S2/c1-37(34,35)17-4-2-3-14(9-17)22-7-8-23(36-22)21-11-19(25(28,29)30)18(12-31)24(33)32(21)13-15-5-6-16(26)10-20(15)27/h2-11H,13H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRalpha (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50034776
(CHEMBL3360974)Show SMILES CC(C)(O)c1cn(c(Cc2ccccc2Cl)n1)-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C26H25ClN2O3S/c1-26(2,30)24-17-29(25(28-24)16-20-7-4-5-10-23(20)27)21-13-11-18(12-14-21)19-8-6-9-22(15-19)33(3,31)32/h4-15,17,30H,16H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 66 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRbeta (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50034782
(CHEMBL3360968)Show SMILES COC(=O)c1cc(-c2ccc(s2)-c2cccc(c2)S(C)(=O)=O)n(n1)-c1ccccc1Cl Show InChI InChI=1S/C22H17ClN2O4S2/c1-29-22(26)17-13-19(25(24-17)18-9-4-3-8-16(18)23)21-11-10-20(30-21)14-6-5-7-15(12-14)31(2,27)28/h3-13H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 64 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRbeta (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50034789
(CHEMBL3360962)Show SMILES Cc1cc(CC(O)=O)ccc1-c1ccc(s1)-c1cc(c(C#N)c(=O)n1Cc1ccc(F)cc1F)C(F)(F)F Show InChI InChI=1S/C27H17F5N2O3S/c1-14-8-15(9-25(35)36)2-5-18(14)23-6-7-24(38-23)22-11-20(27(30,31)32)19(12-33)26(37)34(22)13-16-3-4-17(28)10-21(16)29/h2-8,10-11H,9,13H2,1H3,(H,35,36) | PDB
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 320 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRbeta (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50034783
(CHEMBL3360967)Show SMILES CS(=O)(=O)c1cccc(c1)-c1cccc(c1)-c1cc(nn1-c1ccccc1Cl)C(F)(F)F Show InChI InChI=1S/C23H16ClF3N2O2S/c1-32(30,31)18-9-5-7-16(13-18)15-6-4-8-17(12-15)21-14-22(23(25,26)27)28-29(21)20-11-3-2-10-19(20)24/h2-14H,1H3 | PDB
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| n/a | n/a | n/a | n/a | 320 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRalpha (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50034785
(CHEMBL3360965)Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(s1)-c1cc(nn1-c1ccccc1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H14F6N2O2S2/c1-34(31,32)14-6-4-5-13(11-14)18-9-10-19(33-18)17-12-20(22(26,27)28)29-30(17)16-8-3-2-7-15(16)21(23,24)25/h2-12H,1H3 | PDB
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| n/a | n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRalpha (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50034786
(CHEMBL3360964)Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(s1)-c1cc(nn1-c1ccccc1Cl)C(F)(F)F Show InChI InChI=1S/C21H14ClF3N2O2S2/c1-31(28,29)14-6-4-5-13(11-14)18-9-10-19(30-18)17-12-20(21(23,24)25)26-27(17)16-8-3-2-7-15(16)22/h2-12H,1H3 | PDB
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| n/a | n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRalpha (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM19993
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2 | PDB
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| n/a | n/a | n/a | n/a | 28 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRalpha (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50034786
(CHEMBL3360964)Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(s1)-c1cc(nn1-c1ccccc1Cl)C(F)(F)F Show InChI InChI=1S/C21H14ClF3N2O2S2/c1-31(28,29)14-6-4-5-13(11-14)18-9-10-19(30-18)17-12-20(21(23,24)25)26-27(17)16-8-3-2-7-15(16)22/h2-12H,1H3 | PDB
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| n/a | n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRbeta (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50034783
(CHEMBL3360967)Show SMILES CS(=O)(=O)c1cccc(c1)-c1cccc(c1)-c1cc(nn1-c1ccccc1Cl)C(F)(F)F Show InChI InChI=1S/C23H16ClF3N2O2S/c1-32(30,31)18-9-5-7-16(13-18)15-6-4-8-17(12-15)21-14-22(23(25,26)27)28-29(21)20-11-3-2-10-19(20)24/h2-14H,1H3 | PDB
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| n/a | n/a | n/a | n/a | 230 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRbeta (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50034784
(CHEMBL3360966)Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(cc1)-c1cc(nn1-c1ccccc1Cl)C(F)(F)F Show InChI InChI=1S/C23H16ClF3N2O2S/c1-32(30,31)18-6-4-5-17(13-18)15-9-11-16(12-10-15)21-14-22(23(25,26)27)28-29(21)20-8-3-2-7-19(20)24/h2-14H,1H3 | PDB
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| n/a | n/a | n/a | n/a | 49 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRbeta (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50034775
(CHEMBL3360975 | US10543183, Compound 38 | US109459...)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C28H29ClN2O3S/c1-27(2,23-11-6-7-12-24(23)29)26-30-25(28(3,4)32)18-31(26)21-15-13-19(14-16-21)20-9-8-10-22(17-20)35(5,33)34/h6-18,32H,1-5H3 | PDB
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| n/a | n/a | n/a | n/a | 230 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRalpha (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50034779
(CHEMBL3360971)Show SMILES CC(C)(O)c1cn(c(n1)-c1ccccc1Cl)-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C25H23ClN2O3S/c1-25(2,29)23-16-28(24(27-23)21-9-4-5-10-22(21)26)19-13-11-17(12-14-19)18-7-6-8-20(15-18)32(3,30)31/h4-16,29H,1-3H3 | PDB
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRalpha (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50034780
(CHEMBL3360970)Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(cc1)-n1cc(nc1-c1ccccc1Cl)C(F)(F)F Show InChI InChI=1S/C23H16ClF3N2O2S/c1-32(30,31)18-6-4-5-16(13-18)15-9-11-17(12-10-15)29-14-21(23(25,26)27)28-22(29)19-7-2-3-8-20(19)24/h2-14H,1H3 | PDB
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Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRalpha (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50034788
(CHEMBL3360963)Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(s1)-c1cc(nn1Cc1ccc(F)cc1F)C(F)(F)F Show InChI InChI=1S/C22H15F5N2O2S2/c1-33(30,31)16-4-2-3-13(9-16)19-7-8-20(32-19)18-11-21(22(25,26)27)28-29(18)12-14-5-6-15(23)10-17(14)24/h2-11H,12H2,1H3 | PDB
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| n/a | n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRalpha (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50034785
(CHEMBL3360965)Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(s1)-c1cc(nn1-c1ccccc1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H14F6N2O2S2/c1-34(31,32)14-6-4-5-13(11-14)18-9-10-19(33-18)17-12-20(22(26,27)28)29-30(17)16-8-3-2-7-15(16)21(23,24)25/h2-12H,1H3 | PDB
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| n/a | n/a | n/a | n/a | 68 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRbeta (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50034791
(CHEMBL3360960)Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(s1)-c1cc(c(C#N)c(=O)n1Cc1ccc(F)cc1F)C(F)(F)F Show InChI InChI=1S/C25H15F5N2O3S2/c1-37(34,35)17-4-2-3-14(9-17)22-7-8-23(36-22)21-11-19(25(28,29)30)18(12-31)24(33)32(21)13-15-5-6-16(26)10-20(15)27/h2-11H,13H2,1H3 | PDB
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| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRbeta (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM19993
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2 | PDB
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| n/a | n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRbeta (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50034778
(CHEMBL3360972)Show SMILES CC(C)(O)c1cn(c(n1)-c1c(Cl)cccc1Cl)-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O |(.07,-55.05,;1.6,-55.21,;2.22,-56.62,;.5,-56.3,;2.5,-53.97,;4.04,-53.97,;4.53,-52.5,;3.27,-51.6,;2.03,-52.51,;3.27,-50.06,;1.94,-49.3,;.61,-50.08,;1.93,-47.77,;3.27,-46.98,;4.61,-47.75,;4.61,-49.29,;6.09,-48.88,;5.84,-51.71,;7.18,-52.45,;8.5,-51.66,;8.47,-50.12,;7.12,-49.38,;5.8,-50.17,;9.79,-49.32,;11.14,-50.07,;12.45,-49.27,;12.42,-47.73,;11.06,-46.99,;9.75,-47.79,;11.02,-45.45,;12.34,-44.64,;9.53,-45.04,;10.62,-43.95,)| Show InChI InChI=1S/C25H22Cl2N2O3S/c1-25(2,30)22-15-29(24(28-22)23-20(26)8-5-9-21(23)27)18-12-10-16(11-13-18)17-6-4-7-19(14-17)33(3,31)32/h4-15,30H,1-3H3 | PDB
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Transactivation of LXRalpha (unknown origin) expressed in CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 25: 372-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.029
BindingDB Entry DOI: 10.7270/Q2154JN9 |
More data for this
Ligand-Target Pair | |
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