Found 83 hits with Last Name = 'raghavan' and Initial = 'n' 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 |
|---|
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM297163
(2-{8-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(F)cc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1 | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297236
(2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-methoxy-5-...)Show SMILES COc1cc2c(cc1C(C)(C)O)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C |r| Show InChI InChI=1S/C31H35N5O3/c1-19-29(35(4)34-33-19)22-15-26-28(32-18-22)23-16-27(38-5)24(31(2,3)37)17-25(23)36(26)30(20-9-7-6-8-10-20)21-11-13-39-14-12-21/h6-10,15-18,21,30,37H,11-14H2,1-5H3/t30-/m1/s1 | PDB
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UniChem
| Article
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297070
(5-{7-Methanesulfonyl-5-[(S)-oxan-4-yl(phenyl)methy...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)S(C)(=O)=O |r| Show InChI InChI=1S/C28H29N5O3S/c1-18-27(32(2)31-30-18)21-15-25-26(29-17-21)23-10-9-22(37(3,34)35)16-24(23)33(25)28(19-7-5-4-6-8-19)20-11-13-36-14-12-20/h4-10,15-17,20,28H,11-14H2,1-3H3/t28-/m1/s1 | PDB
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| Article
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| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297163
(2-{8-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(F)cc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1 | PDB
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| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50586606
(CHEMBL5080354)Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| | PDB
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| PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297144
(2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-9-methoxy-5-...)Show SMILES COc1cc(cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)C(C)(C)O |r| Show InChI InChI=1S/C31H35N5O3/c1-19-29(35(4)34-33-19)22-15-25-28(32-18-22)27-24(16-23(31(2,3)37)17-26(27)38-5)36(25)30(20-9-7-6-8-10-20)21-11-13-39-14-12-21/h6-10,15-18,21,30,37H,11-14H2,1-5H3/t30-/m1/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297162
(2-{6-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-27(35(4)34-33-18)21-16-24-26(32-17-21)22-10-11-23(30(2,3)37)25(31)29(22)36(24)28(19-8-6-5-7-9-19)20-12-14-38-15-13-20/h5-11,16-17,20,28,37H,12-15H2,1-4H3/t28-/m1/s1 | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297146
(2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1 | PDB
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297268
(2-{6-Chloro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(Cl)c(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32ClN5O2/c1-18-27(35(4)34-33-18)21-16-24-26(32-17-21)22-10-11-23(30(2,3)37)25(31)29(22)36(24)28(19-8-6-5-7-9-19)20-12-14-38-15-13-20/h5-11,16-17,20,28,37H,12-15H2,1-4H3/t28-/m1/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM297146
(2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1 | PDB
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| Article
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human BRD3 measured by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297146
(2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297146
(2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1 | PDB
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM297146
(2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1 | PDB
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| Article
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| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human BRD2 measured by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50594425
(CHEMBL5189057)Show SMILES COC(C)(C)c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C |r| | PDB
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| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50586604
(CHEMBL5093440)Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)n(C(c1ccccc1)c1ccccc1)c1cc(ccc21)C(C)(C)O | PDB
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| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM297163
(2-{8-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(F)cc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1 | PDB
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM296886
(2-[3-(Dimethyl-1,2-oxazol-4-yl)-5-[oxan-4-yl(pheny...)Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C31H33N3O3/c1-19-28(20(2)37-33-19)23-16-27-29(32-18-23)25-11-10-24(31(3,4)35)17-26(25)34(27)30(21-8-6-5-7-9-21)22-12-14-36-15-13-22/h5-11,16-18,22,30,35H,12-15H2,1-4H3/t30-/m1/s1 | PDB
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| Article
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human BRD2 measured by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297070
(5-{7-Methanesulfonyl-5-[(S)-oxan-4-yl(phenyl)methy...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)S(C)(=O)=O |r| Show InChI InChI=1S/C28H29N5O3S/c1-18-27(32(2)31-30-18)21-15-25-26(29-17-21)23-10-9-22(37(3,34)35)16-24(23)33(25)28(19-7-5-4-6-8-19)20-11-13-36-14-12-20/h4-10,15-17,20,28H,11-14H2,1-3H3/t28-/m1/s1 | PDB
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM296886
(2-[3-(Dimethyl-1,2-oxazol-4-yl)-5-[oxan-4-yl(pheny...)Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C31H33N3O3/c1-19-28(20(2)37-33-19)23-16-27-29(32-18-23)25-11-10-24(31(3,4)35)17-26(25)34(27)30(21-8-6-5-7-9-21)22-12-14-36-15-13-22/h5-11,16-18,22,30,35H,12-15H2,1-4H3/t30-/m1/s1 | PDB
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| PC cid
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| Article
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| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human BRD3 measured by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50586607
(CHEMBL5082474)Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)n([C@@H](C1CCOCC1)c1ccc(F)cc1)c1cc(ccc21)C(C)(C)O |r| | PDB
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| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM296886
(2-[3-(Dimethyl-1,2-oxazol-4-yl)-5-[oxan-4-yl(pheny...)Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C31H33N3O3/c1-19-28(20(2)37-33-19)23-16-27-29(32-18-23)25-11-10-24(31(3,4)35)17-26(25)34(27)30(21-8-6-5-7-9-21)22-12-14-36-15-13-22/h5-11,16-18,22,30,35H,12-15H2,1-4H3/t30-/m1/s1 | PDB
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| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297283
(2-[8-Chloro-3-(dimethyl-1H-1,2,3-triazol-5-yl)-5-[...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(Cl)cc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32ClN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297312
(2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(ccc21)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C30H29F4N5O2/c1-17-26(38(3)37-36-17)20-15-23-25(35-16-20)21-9-10-22(29(2,40)30(32,33)34)24(31)28(21)39(23)27(18-7-5-4-6-8-18)19-11-13-41-14-12-19/h4-10,15-16,19,27,40H,11-14H2,1-3H3/t27-,29?/m1/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50594424
(CHEMBL5172933)Show SMILES CC(C)c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50586601
(CHEMBL5074438)Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc2n(Cc3ccccc3)c3cc(cc(C(N)=O)c3c2c1)-c1c(C)noc1C |r| | PDB
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TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50158616
(CHEMBL3786449)Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)n(Cc1ccccc1)c1cc(ccc21)C(C)(C)O Show InChI InChI=1S/C28H27N3O3/c1-16-25(17(2)34-30-16)19-12-22(27(29)32)26-21-11-10-20(28(3,4)33)14-23(21)31(24(26)13-19)15-18-8-6-5-7-9-18/h5-14,33H,15H2,1-4H3,(H2,29,32) | PDB
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| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50586602
(CHEMBL5074708)Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)n(Cc1ccccc1)c1ccc(cc21)C(C)(C)O | PDB
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TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50586605
(CHEMBL5075046)Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)n([C@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| | PDB
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TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297244
(2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-9-fluoro-5-[...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cc(F)c21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-25-27(32-17-21)26-23(31)15-22(30(2,3)37)16-24(26)36(25)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50586603
(CHEMBL5075119)Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)n(CC1CCOCC1)c1cc(ccc21)C(C)(C)O | PDB
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TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM243258
(US10053454, Example 2 | US10196387, Example 2)Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc2c(c1)n(CC1CC1)c1c(cc(cc21)-c1c(C)noc1C)C(N)=O |r| Show InChI InChI=1S/C29H32N4O4/c1-15-12-32(13-16(2)36-15)29(35)20-7-8-22-23-9-21(26-17(3)31-37-18(26)4)10-24(28(30)34)27(23)33(25(22)11-20)14-19-5-6-19/h7-11,15-16,19H,5-6,12-14H2,1-4H3,(H2,30,34)/t15-,16+ | PDB
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TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50586599
(CHEMBL5085106)Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc2c(c1)n(CC1CC1)c1c(cc(cc21)-c1c(C)nnn1C)C(N)=O |r| | PDB
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TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM243260
(US10053454, Example 4 | US10196387, Example 4)Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(CC3CC3)c3cc(ccc3c2c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C27H28N4O4/c1-15-24(16(2)35-29-15)19-11-21-20-6-5-18(27(33)30-7-9-34-10-8-30)13-23(20)31(14-17-3-4-17)25(21)22(12-19)26(28)32/h5-6,11-13,17H,3-4,7-10,14H2,1-2H3,(H2,28,32) | PDB
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TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50586600
(CHEMBL5094725)Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc2n(CC3CC3)c3cc(cc(C(N)=O)c3c2c1)-c1c(C)noc1C |r| | PDB
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TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50376416
(CHEMBL253952)Show SMILES COc1ccc(OC(=O)N(CC(O)=O)Cc2ccc(OCCc3nc(oc3C)-c3ccc(O)cc3)cc2)cc1 Show InChI InChI=1S/C29H28N2O8/c1-19-26(30-28(38-19)21-5-7-22(32)8-6-21)15-16-37-24-9-3-20(4-10-24)17-31(18-27(33)34)29(35)39-25-13-11-23(36-2)12-14-25/h3-14,32H,15-18H2,1-2H3,(H,33,34) | PDB
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| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity at PPAR alpha receptor |
Drug Metab Dispos 35: 150-67 (2006)
Article DOI: 10.1124/dmd.106.012450
BindingDB Entry DOI: 10.7270/Q2JS9R92 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM243312
(US10053454, Example 56 | US10196387, Example 56)Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc2c(c1)n(CC1CC1)c1c(cc(cc21)-c1conc1C)C(N)=O |r| Show InChI InChI=1S/C28H30N4O4/c1-15-11-31(12-16(2)36-15)28(34)19-6-7-21-22-8-20(24-14-35-30-17(24)3)9-23(27(29)33)26(22)32(25(21)10-19)13-18-4-5-18/h6-10,14-16,18H,4-5,11-13H2,1-3H3,(H2,29,33)/t15-,16+ | PDB
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TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50150998
(((4-Methoxy-phenoxycarbonyl)-{4-[2-(5-methyl-2-phe...)Show SMILES COc1ccc(OC(=O)N(CC(O)=O)Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)cc1 Show InChI InChI=1S/C29H28N2O7/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,32,33) | PDB
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| n/a | n/a | 188 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity at PPAR alpha receptor |
Drug Metab Dispos 35: 150-67 (2006)
Article DOI: 10.1124/dmd.106.012450
BindingDB Entry DOI: 10.7270/Q2JS9R92 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50150998
(((4-Methoxy-phenoxycarbonyl)-{4-[2-(5-methyl-2-phe...)Show SMILES COc1ccc(OC(=O)N(CC(O)=O)Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)cc1 Show InChI InChI=1S/C29H28N2O7/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,32,33) | PDB
MMDB
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Reactome pathway
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Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity at PPAR gamma receptor |
Drug Metab Dispos 35: 150-67 (2006)
Article DOI: 10.1124/dmd.106.012450
BindingDB Entry DOI: 10.7270/Q2JS9R92 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM243313
(US10053454, Example 57 | US10196387, Example 57)Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc2c(c1)n(CC1CC1)c1c(cc(cc21)-c1cnoc1C)C(N)=O |r| Show InChI InChI=1S/C28H30N4O4/c1-15-12-31(13-16(2)35-15)28(34)19-6-7-21-22-8-20(24-11-30-36-17(24)3)9-23(27(29)33)26(22)32(25(21)10-19)14-18-4-5-18/h6-11,15-16,18H,4-5,12-14H2,1-3H3,(H2,29,33)/t15-,16+ | PDB
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TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM243339
(US10053454, Example 83 | US10196387, Example 83)Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc2c(c1)n(CC1CC1)c1c(cc(cc21)-c1c(C)n[nH]c1C)C(N)=O |r| | PDB
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TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM243259
(US10053454, Example 3 | US10196387, Example 3)Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C23H22N4O4/c1-12-20(13(2)31-26-12)15-9-17-16-4-3-14(23(29)27-5-7-30-8-6-27)11-19(16)25-21(17)18(10-15)22(24)28/h3-4,9-11,25H,5-8H2,1-2H3,(H2,24,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 712 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50150998
(((4-Methoxy-phenoxycarbonyl)-{4-[2-(5-methyl-2-phe...)Show SMILES COc1ccc(OC(=O)N(CC(O)=O)Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)cc1 Show InChI InChI=1S/C29H28N2O7/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Agonist activity at PPAR gamma in human HEK cells by transactivation assay |
Drug Metab Dispos 35: 150-67 (2006)
Article DOI: 10.1124/dmd.106.012450
BindingDB Entry DOI: 10.7270/Q2JS9R92 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM296886
(2-[3-(Dimethyl-1,2-oxazol-4-yl)-5-[oxan-4-yl(pheny...)Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C31H33N3O3/c1-19-28(20(2)37-33-19)23-16-27-29(32-18-23)25-11-10-24(31(3,4)35)17-26(25)34(27)30(21-8-6-5-7-9-21)22-12-14-36-15-13-22/h5-11,16-18,22,30,35H,12-15H2,1-4H3/t30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50376416
(CHEMBL253952)Show SMILES COc1ccc(OC(=O)N(CC(O)=O)Cc2ccc(OCCc3nc(oc3C)-c3ccc(O)cc3)cc2)cc1 Show InChI InChI=1S/C29H28N2O8/c1-19-26(30-28(38-19)21-5-7-22(32)8-6-21)15-16-37-24-9-3-20(4-10-24)17-31(18-27(33)34)29(35)39-25-13-11-23(36-2)12-14-25/h3-14,32H,15-18H2,1-2H3,(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity at PPAR gamma receptor |
Drug Metab Dispos 35: 150-67 (2006)
Article DOI: 10.1124/dmd.106.012450
BindingDB Entry DOI: 10.7270/Q2JS9R92 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50376415
(CHEMBL429671)Show SMILES COc1ccc(OC(=O)N(CC(O)=O)Cc2ccc(OCCc3nc(oc3CO)-c3ccccc3)cc2)cc1 Show InChI InChI=1S/C29H28N2O8/c1-36-22-11-13-24(14-12-22)38-29(35)31(18-27(33)34)17-20-7-9-23(10-8-20)37-16-15-25-26(19-32)39-28(30-25)21-5-3-2-4-6-21/h2-14,32H,15-19H2,1H3,(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity at PPAR alpha receptor |
Drug Metab Dispos 35: 150-67 (2006)
Article DOI: 10.1124/dmd.106.012450
BindingDB Entry DOI: 10.7270/Q2JS9R92 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50376414
(CHEMBL254989)Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)C(=O)Oc2ccc(O)cc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H26N2O7/c1-19-25(29-27(36-19)21-5-3-2-4-6-21)15-16-35-23-11-7-20(8-12-23)17-30(18-26(32)33)28(34)37-24-13-9-22(31)10-14-24/h2-14,31H,15-18H2,1H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity at PPAR alpha receptor |
Drug Metab Dispos 35: 150-67 (2006)
Article DOI: 10.1124/dmd.106.012450
BindingDB Entry DOI: 10.7270/Q2JS9R92 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM296886
(2-[3-(Dimethyl-1,2-oxazol-4-yl)-5-[oxan-4-yl(pheny...)Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C31H33N3O3/c1-19-28(20(2)37-33-19)23-16-27-29(32-18-23)25-11-10-24(31(3,4)35)17-26(25)34(27)30(21-8-6-5-7-9-21)22-12-14-36-15-13-22/h5-11,16-18,22,30,35H,12-15H2,1-4H3/t30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM297146
(2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM297146
(2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50376413
(CHEMBL444373)Show InChI InChI=1S/C17H17NO6/c1-23-14-6-8-15(9-7-14)24-17(22)18(11-16(20)21)10-12-2-4-13(19)5-3-12/h2-9,19H,10-11H2,1H3,(H,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity at PPAR gamma receptor |
Drug Metab Dispos 35: 150-67 (2006)
Article DOI: 10.1124/dmd.106.012450
BindingDB Entry DOI: 10.7270/Q2JS9R92 |
More data for this
Ligand-Target Pair | |
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