Found 2640 hits with Last Name = 'kick' and Initial = 'ek' 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-beta/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204085
(CHEMBL3960606)Show SMILES CC(C)(O)c1cn(c(Cc2ccccc2Cl)n1)-c1ccc(cc1)-c1ccc(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C27H27ClN2O4S/c1-27(2,32)25-16-30(26(29-25)15-20-6-4-5-7-23(20)28)22-12-10-18(11-13-22)19-8-9-21(17-31)24(14-19)35(3,33)34/h4-14,16,31-32H,15,17H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204079
(CHEMBL3935187)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H29Cl2FN2O4S/c1-28(2,26-21(30)7-6-8-22(26)31)27-33-25(29(3,4)36)15-34(27)19-11-9-17(10-12-19)18-13-23(32)20(16-35)24(14-18)39(5,37)38/h6-15,35-36H,16H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM36570
(EHM)Show SMILES OC(CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C37H33Cl2N3O8/c38-25-11-13-30(28(39)19-25)48-21-33(44)40-35(24-6-2-1-3-7-24)29(43)20-41(16-14-23-10-12-31-32(18-23)50-22-49-31)34(45)15-17-42-36(46)26-8-4-5-9-27(26)37(42)47/h1-13,18-19,29,35,43H,14-17,20-22H2,(H,40,44)/t29?,35-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | 14 | n/a | n/a | n/a | n/a | 3.7 | n/a |
University of California Berkeley
| Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem. |
Chem Biol 4: 297-307 (1997)
Article DOI: 10.1016/s1074-5521(97)90073-9
BindingDB Entry DOI: 10.7270/Q21R6NW9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204078
(CHEMBL3926292)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H29ClF2N2O4S/c1-28(2,20-8-6-7-9-21(20)30)27-33-26(29(3,4)36)15-34(27)24-11-10-17(12-23(24)32)18-13-22(31)19(16-35)25(14-18)39(5,37)38/h6-15,35-36H,16H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204077
(CHEMBL3944154)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H30ClFN2O4S/c1-28(2,22-8-6-7-9-23(22)30)27-32-26(29(3,4)35)16-33(27)20-12-10-18(11-13-20)19-14-24(31)21(17-34)25(15-19)38(5,36)37/h6-16,34-35H,17H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204076
(CHEMBL3890276)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C28H28Cl2N2O3S/c1-27(2,25-22(29)10-7-11-23(25)30)26-31-24(28(3,4)33)17-32(26)20-14-12-18(13-15-20)19-8-6-9-21(16-19)36(5,34)35/h6-17,33H,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204075
(CHEMBL3980683)Show SMILES CC(C)(O)c1cn(c(Cc2c(Cl)cccc2Cl)n1)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C27H25Cl2FN2O4S/c1-27(2,34)25-14-32(26(31-25)13-19-21(28)5-4-6-22(19)29)18-9-7-16(8-10-18)17-11-23(30)20(15-33)24(12-17)37(3,35)36/h4-12,14,33-34H,13,15H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204072
(CHEMBL3945199 | US10543183, Compound 12 | US109459...)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H28Cl2F2N2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-22(23)33)17-12-21(32)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3 | PDB
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CHEMBL
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| PDB
Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204081
(CHEMBL3913162)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1)-c1ccc(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H31ClN2O4S/c1-28(2,23-8-6-7-9-24(23)30)27-31-26(29(3,4)34)17-32(27)22-14-12-19(13-15-22)20-10-11-21(18-33)25(16-20)37(5,35)36/h6-17,33-34H,18H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204082
(CHEMBL3945820)Show SMILES CC(c1nc(cn1-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O)C(C)(C)O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C28H26Cl2F2N2O4S/c1-15(26-19(29)6-5-7-20(26)30)27-33-25(28(2,3)36)13-34(27)23-9-8-16(10-22(23)32)17-11-21(31)18(14-35)24(12-17)39(4,37)38/h5-13,15,35-36H,14H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM36569
(FHO)Show SMILES OC(CN(CCc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)COc1ccc(Cl)c(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C36H31Cl4N3O6/c37-24-11-10-22(29(39)18-24)14-16-42(33(46)15-17-43-35(47)26-8-4-5-9-27(26)36(43)48)20-31(44)34(23-6-2-1-3-7-23)41-32(45)21-49-25-12-13-28(38)30(40)19-25/h1-13,18-19,31,34,44H,14-17,20-21H2,(H,41,45)/t31?,34-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | 18 | n/a | n/a | n/a | n/a | 3.7 | n/a |
University of California Berkeley
| Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem. |
Chem Biol 4: 297-307 (1997)
Article DOI: 10.1016/s1074-5521(97)90073-9
BindingDB Entry DOI: 10.7270/Q21R6NW9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204071
(CHEMBL3953927)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1cccc(F)c1Cl)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H29ClF2N2O4S/c1-28(2,21-7-6-8-22(31)26(21)30)27-33-25(29(3,4)36)15-34(27)19-11-9-17(10-12-19)18-13-23(32)20(16-35)24(14-18)39(5,37)38/h6-15,35-36H,16H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204073
(CHEMBL3917300)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(F)cccc1Cl)-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H28ClF3N2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-22(23)33)17-12-21(32)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204083
(CHEMBL3941775)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1F)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H30F2N2O4S/c1-28(2,22-8-6-7-9-23(22)30)27-32-26(29(3,4)35)16-33(27)20-12-10-18(11-13-20)19-14-24(31)21(17-34)25(15-19)38(5,36)37/h6-16,34-35H,17H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-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
UniProtKB/SwissProt
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antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
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PDB
UniChem
Similars
| PDB
Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cathepsin D
(Homo sapiens (Human)) | BDBM36567
(EHO)Show SMILES OC(CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)COc1ccc(Cl)c(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C37H33Cl2N3O8/c38-28-12-11-25(19-29(28)39)48-21-33(44)40-35(24-6-2-1-3-7-24)30(43)20-41(16-14-23-10-13-31-32(18-23)50-22-49-31)34(45)15-17-42-36(46)26-8-4-5-9-27(26)37(42)47/h1-13,18-19,30,35,43H,14-17,20-22H2,(H,40,44)/t30?,35-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | 19 | n/a | n/a | n/a | n/a | 3.7 | n/a |
University of California Berkeley
| Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem. |
Chem Biol 4: 297-307 (1997)
Article DOI: 10.1016/s1074-5521(97)90073-9
BindingDB Entry DOI: 10.7270/Q21R6NW9 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM36571
(EHR)Show SMILES OC(CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)COc1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C37H34ClN3O8/c38-26-9-6-10-27(20-26)47-22-33(43)39-35(25-7-2-1-3-8-25)30(42)21-40(17-15-24-13-14-31-32(19-24)49-23-48-31)34(44)16-18-41-36(45)28-11-4-5-12-29(28)37(41)46/h1-14,19-20,30,35,42H,15-18,21-23H2,(H,39,43)/t30?,35-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | 20 | n/a | n/a | n/a | n/a | 3.7 | n/a |
University of California Berkeley
| Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem. |
Chem Biol 4: 297-307 (1997)
Article DOI: 10.1016/s1074-5521(97)90073-9
BindingDB Entry DOI: 10.7270/Q21R6NW9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204076
(CHEMBL3890276)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C28H28Cl2N2O3S/c1-27(2,25-22(29)10-7-11-23(25)30)26-31-24(28(3,4)33)17-32(26)20-14-12-18(13-15-20)19-8-6-9-21(16-19)36(5,34)35/h6-17,33H,1-5H3 | PDB
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UniChem
Similars
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PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204082
(CHEMBL3945820)Show SMILES CC(c1nc(cn1-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O)C(C)(C)O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C28H26Cl2F2N2O4S/c1-15(26-19(29)6-5-7-20(26)30)27-33-25(28(2,3)36)13-34(27)23-9-8-16(10-22(23)32)17-11-21(31)18(14-35)24(12-17)39(4,37)38/h5-13,15,35-36H,14H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
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PC sid
UniChem
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PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204078
(CHEMBL3926292)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H29ClF2N2O4S/c1-28(2,20-8-6-7-9-21(20)30)27-33-26(29(3,4)36)15-34(27)24-11-10-17(12-23(24)32)18-13-22(31)19(16-35)25(14-18)39(5,37)38/h6-15,35-36H,16H2,1-5H3 | PDB
UniProtKB/SwissProt
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UniChem
Similars
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PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204072
(CHEMBL3945199 | US10543183, Compound 12 | US109459...)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H28Cl2F2N2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-22(23)33)17-12-21(32)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3 | PDB
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| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204085
(CHEMBL3960606)Show SMILES CC(C)(O)c1cn(c(Cc2ccccc2Cl)n1)-c1ccc(cc1)-c1ccc(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C27H27ClN2O4S/c1-27(2,32)25-16-30(26(29-25)15-20-6-4-5-7-23(20)28)22-12-10-18(11-13-22)19-8-9-21(17-31)24(14-19)35(3,33)34/h4-14,16,31-32H,15,17H2,1-3H3 | PDB
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UniChem
Similars
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PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204079
(CHEMBL3935187)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H29Cl2FN2O4S/c1-28(2,26-21(30)7-6-8-22(26)31)27-33-25(29(3,4)36)15-34(27)19-11-9-17(10-12-19)18-13-23(32)20(16-35)24(14-18)39(5,37)38/h6-15,35-36H,16H2,1-5H3 | PDB
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PC sid
UniChem
Similars
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PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204080
(CHEMBL3963566)Show SMILES CC(O)c1ccc(cc1S(C)(=O)=O)-c1ccc(cc1)-n1cc(nc1C(C)(C)c1ccccc1Cl)C(C)(C)O Show InChI InChI=1S/C30H33ClN2O4S/c1-19(34)23-16-13-21(17-26(23)38(6,36)37)20-11-14-22(15-12-20)33-18-27(30(4,5)35)32-28(33)29(2,3)24-9-7-8-10-25(24)31/h7-19,34-35H,1-6H3 | PDB
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PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204074
(CHEMBL3910597)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1Cl)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H28Cl3FN2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-21(23)32)17-12-22(33)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
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PC sid
UniChem
Similars
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PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204074
(CHEMBL3910597)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1Cl)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H28Cl3FN2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-21(23)32)17-12-22(33)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204071
(CHEMBL3953927)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1cccc(F)c1Cl)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H29ClF2N2O4S/c1-28(2,21-7-6-8-22(31)26(21)30)27-33-25(29(3,4)36)15-34(27)19-11-9-17(10-12-19)18-13-23(32)20(16-35)24(14-18)39(5,37)38/h6-15,35-36H,16H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204077
(CHEMBL3944154)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H30ClFN2O4S/c1-28(2,22-8-6-7-9-23(22)30)27-32-26(29(3,4)35)16-33(27)20-12-10-18(11-13-20)19-14-24(31)21(17-34)25(15-19)38(5,36)37/h6-16,34-35H,17H2,1-5H3 | PDB
UniProtKB/SwissProt
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GoogleScholar
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PC sid
UniChem
Similars
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PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM36572
(EHS)Show SMILES COc1cc(Br)c(cc1OC)C(=O)N[C@H](C(O)CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1 |r| Show InChI InChI=1S/C38H36BrN3O9/c1-48-31-19-27(28(39)20-32(31)49-2)36(45)40-35(24-8-4-3-5-9-24)29(43)21-41(16-14-23-12-13-30-33(18-23)51-22-50-30)34(44)15-17-42-37(46)25-10-6-7-11-26(25)38(42)47/h3-13,18-20,29,35,43H,14-17,21-22H2,1-2H3,(H,40,45)/t29?,35-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 59 | n/a | 64 | n/a | n/a | n/a | n/a | 3.7 | n/a |
University of California Berkeley
| Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem. |
Chem Biol 4: 297-307 (1997)
Article DOI: 10.1016/s1074-5521(97)90073-9
BindingDB Entry DOI: 10.7270/Q21R6NW9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-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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PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204073
(CHEMBL3917300)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(F)cccc1Cl)-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H28ClF3N2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-22(23)33)17-12-21(32)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3 | PDB
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PC sid
UniChem
Similars
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PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM36559
(EHD)Show SMILES OC(CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C37H32Cl3N3O8/c38-26-17-28(40)31(18-27(26)39)49-20-33(45)41-35(23-6-2-1-3-7-23)29(44)19-42(14-12-22-10-11-30-32(16-22)51-21-50-30)34(46)13-15-43-36(47)24-8-4-5-9-25(24)37(43)48/h1-11,16-18,29,35,44H,12-15,19-21H2,(H,41,45)/t29?,35-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | 3.7 | n/a |
University of California Berkeley
| Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem. |
Chem Biol 4: 297-307 (1997)
Article DOI: 10.1016/s1074-5521(97)90073-9
BindingDB Entry DOI: 10.7270/Q21R6NW9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204081
(CHEMBL3913162)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1)-c1ccc(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H31ClN2O4S/c1-28(2,23-8-6-7-9-24(23)30)27-31-26(29(3,4)34)17-32(27)22-14-12-19(13-15-22)20-10-11-21(18-33)25(16-20)37(5,35)36/h6-17,33-34H,18H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204075
(CHEMBL3980683)Show SMILES CC(C)(O)c1cn(c(Cc2c(Cl)cccc2Cl)n1)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C27H25Cl2FN2O4S/c1-27(2,34)25-14-32(26(31-25)13-19-21(28)5-4-6-22(19)29)18-9-7-16(8-10-18)17-11-23(30)20(15-33)24(12-17)37(3,35)36/h4-12,14,33-34H,13,15H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204083
(CHEMBL3941775)Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1F)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O Show InChI InChI=1S/C29H30F2N2O4S/c1-28(2,22-8-6-7-9-23(22)30)27-32-26(29(3,4)35)16-33(27)20-12-10-18(11-13-20)19-14-24(31)21(17-34)25(15-19)38(5,36)37/h6-16,34-35H,17H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM36561
(EHJ)Show SMILES COc1ccc(C(=O)N[C@H](C(O)CN(CCc2ccc3OCOc3c2)C(=O)CCN2C(=O)c3ccccc3C2=O)c2ccccc2)c(Cl)c1OC |r| Show InChI InChI=1S/C38H36ClN3O9/c1-48-30-15-13-27(33(39)35(30)49-2)36(45)40-34(24-8-4-3-5-9-24)28(43)21-41(18-16-23-12-14-29-31(20-23)51-22-50-29)32(44)17-19-42-37(46)25-10-6-7-11-26(25)38(42)47/h3-15,20,28,34,43H,16-19,21-22H2,1-2H3,(H,40,45)/t28?,34-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 111 | n/a | n/a | n/a | n/a | n/a | n/a | 3.7 | n/a |
University of California Berkeley
| Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem. |
Chem Biol 4: 297-307 (1997)
Article DOI: 10.1016/s1074-5521(97)90073-9
BindingDB Entry DOI: 10.7270/Q21R6NW9 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM36562
(EHA)Show SMILES OC(CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)CCn1c2ccccc2oc1=O)c1ccccc1 |r| Show InChI InChI=1S/C39H36N4O9/c44-30(36(26-8-2-1-3-9-26)40-34(45)17-20-42-29-12-6-7-13-31(29)52-39(42)49)23-41(19-16-25-14-15-32-33(22-25)51-24-50-32)35(46)18-21-43-37(47)27-10-4-5-11-28(27)38(43)48/h1-15,22,30,36,44H,16-21,23-24H2,(H,40,45)/t30?,36-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 131 | n/a | n/a | n/a | n/a | n/a | n/a | 3.7 | n/a |
University of California Berkeley
| Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem. |
Chem Biol 4: 297-307 (1997)
Article DOI: 10.1016/s1074-5521(97)90073-9
BindingDB Entry DOI: 10.7270/Q21R6NW9 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM36563
(EFA)Show SMILES OC(CN(CCc1ccc2OCOc2c1)C(=O)CCc1ccc(Cl)c(Cl)c1)[C@@H](NC(=O)CCn1c2ccccc2oc1=O)c1ccccc1 |r| Show InChI InChI=1S/C37H35Cl2N3O7/c38-27-13-10-24(20-28(27)39)12-15-35(45)41(18-16-25-11-14-32-33(21-25)48-23-47-32)22-30(43)36(26-6-2-1-3-7-26)40-34(44)17-19-42-29-8-4-5-9-31(29)49-37(42)46/h1-11,13-14,20-21,30,36,43H,12,15-19,22-23H2,(H,40,44)/t30?,36-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 171 | n/a | n/a | n/a | n/a | n/a | n/a | 3.7 | n/a |
University of California Berkeley
| Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem. |
Chem Biol 4: 297-307 (1997)
Article DOI: 10.1016/s1074-5521(97)90073-9
BindingDB Entry DOI: 10.7270/Q21R6NW9 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204080
(CHEMBL3963566)Show SMILES CC(O)c1ccc(cc1S(C)(=O)=O)-c1ccc(cc1)-n1cc(nc1C(C)(C)c1ccccc1Cl)C(C)(C)O Show InChI InChI=1S/C30H33ClN2O4S/c1-19(34)23-16-13-21(17-26(23)38(6,36)37)20-11-14-22(15-12-20)33-18-27(30(4,5)35)32-28(33)29(2,3)24-9-7-8-10-25(24)31/h7-19,34-35H,1-6H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy... |
ACS Med Chem Lett 7: 1207-1212 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM36573
(UHD)Show SMILES Cc1ccc(CCN(CC(O)[C@@H](NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c2ccccc2)C(=O)CCN2C(=O)c3ccccc3C2=O)cc1 |r| Show InChI InChI=1S/C37H34Cl3N3O6/c1-23-11-13-24(14-12-23)15-17-42(34(46)16-18-43-36(47)26-9-5-6-10-27(26)37(43)48)21-31(44)35(25-7-3-2-4-8-25)41-33(45)22-49-32-20-29(39)28(38)19-30(32)40/h2-14,19-20,31,35,44H,15-18,21-22H2,1H3,(H,41,45)/t31?,35-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 224 | n/a | 229 | n/a | n/a | n/a | n/a | 3.7 | n/a |
University of California Berkeley
| Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem. |
Chem Biol 4: 297-307 (1997)
Article DOI: 10.1016/s1074-5521(97)90073-9
BindingDB Entry DOI: 10.7270/Q21R6NW9 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM36564
(FHA)Show SMILES OC(CN(CCc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)CCn1c2ccccc2oc1=O)c1ccccc1 |r| Show InChI InChI=1S/C38H34Cl2N4O7/c39-26-15-14-24(29(40)22-26)16-19-42(34(47)18-21-44-36(48)27-10-4-5-11-28(27)37(44)49)23-31(45)35(25-8-2-1-3-9-25)41-33(46)17-20-43-30-12-6-7-13-32(30)51-38(43)50/h1-15,22,31,35,45H,16-21,23H2,(H,41,46)/t31?,35-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 231 | n/a | n/a | n/a | n/a | n/a | n/a | 3.7 | n/a |
University of California Berkeley
| Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem. |
Chem Biol 4: 297-307 (1997)
Article DOI: 10.1016/s1074-5521(97)90073-9
BindingDB Entry DOI: 10.7270/Q21R6NW9 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM36565
(FBB)Show SMILES COc1cccc(CCN(CC(O)[C@@H](NC(=O)Cn2c(O)csc2=S)c2ccccc2)C(=O)NC2CCCCC2)c1 |r| Show InChI InChI=1S/C30H38N4O5S2/c1-39-24-14-8-9-21(17-24)15-16-33(29(38)31-23-12-6-3-7-13-23)18-25(35)28(22-10-4-2-5-11-22)32-26(36)19-34-27(37)20-41-30(34)40/h2,4-5,8-11,14,17,20,23,25,28,35,37H,3,6-7,12-13,15-16,18-19H2,1H3,(H,31,38)(H,32,36)/t25?,28-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 356 | n/a | n/a | n/a | n/a | n/a | n/a | 3.7 | n/a |
University of California Berkeley
| Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem. |
Chem Biol 4: 297-307 (1997)
Article DOI: 10.1016/s1074-5521(97)90073-9
BindingDB Entry DOI: 10.7270/Q21R6NW9 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM36566
(FDB)Show SMILES CCCCCCC(=O)N(CCc1cccc(OC)c1)CC(O)[C@@H](NC(=O)Cn1c(O)csc1=S)c1ccccc1 |r| Show InChI InChI=1S/C30H39N3O5S2/c1-3-4-5-9-15-27(36)32(17-16-22-11-10-14-24(18-22)38-2)19-25(34)29(23-12-7-6-8-13-23)31-26(35)20-33-28(37)21-40-30(33)39/h6-8,10-14,18,21,25,29,34,37H,3-5,9,15-17,19-20H2,1-2H3,(H,31,35)/t25?,29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 595 | n/a | n/a | n/a | n/a | n/a | n/a | 3.7 | n/a |
University of California Berkeley
| Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem. |
Chem Biol 4: 297-307 (1997)
Article DOI: 10.1016/s1074-5521(97)90073-9
BindingDB Entry DOI: 10.7270/Q21R6NW9 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM36560
((R)-EHD)Show SMILES O[C@H](CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C37H32Cl3N3O8/c38-26-17-28(40)31(18-27(26)39)49-20-33(45)41-35(23-6-2-1-3-7-23)29(44)19-42(14-12-22-10-11-30-32(16-22)51-21-50-30)34(46)13-15-43-36(47)24-8-4-5-9-25(24)37(43)48/h1-11,16-18,29,35,44H,12-15,19-21H2,(H,41,45)/t29-,35+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 3.7 | n/a |
University of California Berkeley
| Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem. |
Chem Biol 4: 297-307 (1997)
Article DOI: 10.1016/s1074-5521(97)90073-9
BindingDB Entry DOI: 10.7270/Q21R6NW9 |
More data for this
Ligand-Target Pair | |
Myeloperoxidase
(Homo sapiens (Human)) | BDBM50554035
(CHEMBL4790231)Show SMILES Nc1cc([C@H](CCNC23CCC(CC2)(CC3)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MPO (unknown origin) chlorination activity incubated for 10 mins followed by NaCl addition by aminophenyl fluorescein assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128010
BindingDB Entry DOI: 10.7270/Q2PZ5DKZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Myeloperoxidase
(Homo sapiens (Human)) | BDBM50554034
(CHEMBL4747269)Show SMILES Nc1cc([C@H](CCN[C@H]2C[C@H](c3ccccc23)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MPO incubated for 10 mins in presence of 120 mM NaCl by aminophenyl fluorescein based assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115723
BindingDB Entry DOI: 10.7270/Q21Z4829 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Myeloperoxidase
(Homo sapiens (Human)) | BDBM50554035
(CHEMBL4790231)Show SMILES Nc1cc([C@H](CCNC23CCC(CC2)(CC3)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MPO incubated for 10 mins in presence of 120 mM NaCl by aminophenyl fluorescein based assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115723
BindingDB Entry DOI: 10.7270/Q21Z4829 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Myeloperoxidase
(Homo sapiens (Human)) | BDBM50554052
(CHEMBL4763667)Show SMILES Nc1cc([C@H](CCN[C@H]2CC[C@@H](CC2)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r,wU:4.4,11.14,wD:8.7,(28.35,-39.89,;29.68,-39.12,;29.69,-37.58,;31.01,-36.8,;31,-35.26,;32.34,-34.49,;33.67,-35.25,;35.01,-34.48,;36.35,-35.25,;36.34,-36.78,;37.67,-37.55,;39.01,-36.78,;39.01,-35.24,;37.67,-34.47,;40.33,-37.55,;40.33,-39.1,;41.66,-39.87,;43,-39.1,;43,-37.55,;41.66,-36.78,;29.67,-34.5,;29.67,-32.96,;28.34,-32.19,;27,-32.97,;27.01,-34.52,;28.35,-35.27,;32.35,-37.57,;33.81,-37.09,;34.72,-38.34,;33.81,-39.59,;32.35,-39.11,;31.01,-39.89,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MPO incubated for 10 mins in presence of 120 mM NaCl by aminophenyl fluorescein based assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115723
BindingDB Entry DOI: 10.7270/Q21Z4829 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Myeloperoxidase
(Homo sapiens (Human)) | BDBM50554050
(CHEMBL4752248)Show SMILES Nc1cc([C@H](CCN[C@@H]2CC[C@@H](c3ccccc3)c3ccccc23)c2ccccc2)c2nn[nH]c2n1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MPO incubated for 10 mins in presence of 120 mM NaCl by aminophenyl fluorescein based assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115723
BindingDB Entry DOI: 10.7270/Q21Z4829 |
More data for this
Ligand-Target Pair | |
Myeloperoxidase
(Homo sapiens (Human)) | BDBM50507392
(CHEMBL4548537 | US10981879, Example 11)Show InChI InChI=1S/C12H9Cl2N5S/c13-7-2-1-3-8(14)6(7)5-20-9-4-10(15)16-12-11(9)17-19-18-12/h1-4H,5H2,(H3,15,16,17,18,19) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human PMN leukocytes MPO peroxidation activity using H2O2 as substrate preincubated for 10 mins followed by H2O2 addition and measured ... |
ACS Med Chem Lett 9: 1175-1180 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00308
BindingDB Entry DOI: 10.7270/Q2W0997Z |
More data for this
Ligand-Target Pair | |
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