Found 164 hits with Last Name = 'boren' and Initial = 'bc' 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
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| Article
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| 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
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| 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 | |
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
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| 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
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| 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
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| 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
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| 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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| 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
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| 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
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| 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)) | 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
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| 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
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| 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)) | 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
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| 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
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| 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) |
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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| 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
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| 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
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| 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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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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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
UniProtKB/SwissProt
antibodypedia
antibodypedia
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PC sid
UniChem
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| Article
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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antibodypedia
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PC sid
UniChem
Similars
| Article
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
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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
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UniChem
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| 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
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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 | |
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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UniChem
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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 | |
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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MCE
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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
UniProtKB/SwissProt
antibodypedia
antibodypedia
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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 | |
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
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| 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
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| 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
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Patents
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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 | |
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
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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 | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579208
(CHEMBL4867107)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)c(C)cn(-c2c(Cl)cccc2Cl)c3=O)cc1 |(28.51,-2.72,;29.85,-3.48,;29.85,-5.02,;31.18,-5.79,;32.51,-5.02,;32.51,-3.48,;31.18,-2.7,;33.85,-5.8,;33.84,-7.34,;35.17,-8.11,;36.51,-7.34,;37.84,-8.11,;39.18,-7.34,;39.17,-5.81,;40.5,-5.03,;41.84,-5.8,;41.85,-7.35,;40.51,-8.11,;43.18,-8.11,;43.19,-9.65,;44.52,-7.33,;44.51,-5.78,;45.83,-5.01,;45.81,-3.48,;44.47,-2.73,;47.13,-2.7,;48.47,-3.45,;48.48,-4.99,;47.16,-5.77,;47.17,-7.3,;43.17,-5.03,;43.15,-3.49,;36.51,-5.79,;35.18,-5.02,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579222
(CHEMBL4861383)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CC[C@@](C)(O)c4n2)n(CC=C)c3=O)cc1C |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM518531
(2-Allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6...)Show SMILES CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4CCNCc4c3)nc12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM518526
(2-Allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6...)Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)ccc2C2(CC2)C1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM518527
(2-Alyl-6-((2′,3′-dihydro-1′H-spi...)Show SMILES CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4c(CNCC44CC4)c3)nc12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM518538
(2-Allyl-6-((2-(2-hydroxyethyl)-1,2,3,4-tetrahydroi...)Show SMILES CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4CCN(CCO)Cc4c3)nc12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579228
(CHEMBL4867211)Show SMILES O[C@@]1(CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4c(CNCC44CC4)c3)nc12)C(F)(F)F |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM518540
(2-Allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6...)Show SMILES CN1CCc2cc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)ccc2C1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM518530
(2-Allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6...)Show SMILES CN1CCc2ccc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)cc2C1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579214
(CHEMBL4856035)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CC[C@](O)(C(F)F)c4n2)n(CC=C)c3=O)cc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579225
(CHEMBL4874546)Show SMILES CC[C@@]1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4n(ccc4c3)C3CCN(C)CC3)nc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579218
(CHEMBL4876612)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CC[C@@](O)(C5CC5)c4n2)n(CC=C)c3=O)cc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
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
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579223
(CHEMBL4853285)Show SMILES CC[C@@]1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)c(C)c3)nc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579227
(CHEMBL4847705)Show SMILES CC[C@@]1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3cccc(c3)N3CCN(C)CC3)nc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579221
(CHEMBL4866800)Show SMILES CC[C@@]1(N)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579224
(CHEMBL4861351)Show SMILES CC[C@@]1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579216
(CHEMBL4865963)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CC[C@](C)(O)c4c2)n(CC=C)c3=O)cc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579213
(CHEMBL4853973)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CC[C@](O)(c4n2)C(F)(F)F)n(CC=C)c3=O)cc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579220
(CHEMBL4868683)Show SMILES CC[C@@]1(O)CCCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50579219
(CHEMBL4857841)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CCC[C@@](C)(O)c4n2)n(CC=C)c3=O)cc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01121
BindingDB Entry DOI: 10.7270/Q2JW8JQM |
More data for this
Ligand-Target Pair | |
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