Found 506 hits with Last Name = 'hirst' and Initial = 'dj' 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 |
|---|
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50125265
(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant LpPLA2 |
ACS Med Chem Lett 8: 43-48 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00281
BindingDB Entry DOI: 10.7270/Q2862JFC |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50205805
(Rilapladib | SB-659032)Show SMILES COCCN1CCC(CC1)N(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c(SCc2cccc(F)c2F)cc(=O)c2ccccc12 Show InChI InChI=1S/C40H38F5N3O3S/c1-51-22-21-46-19-17-32(18-20-46)47(24-27-9-11-28(12-10-27)29-13-15-31(16-14-29)40(43,44)45)37(50)25-48-35-8-3-2-6-33(35)36(49)23-38(48)52-26-30-5-4-7-34(41)39(30)42/h2-16,23,32H,17-22,24-26H2,1H3 | 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 | 0.251 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Inhibition of LpPLA2 (unknown origin) |
ACS Med Chem Lett 8: 43-48 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00281
BindingDB Entry DOI: 10.7270/Q2862JFC |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50205804
(CHEMBL3967156)Show SMILES CCN(CC)CCN(CC12CC(C1)(C2)c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C35H40F4N4O2S/c1-3-41(4-2)16-17-42(23-33-20-34(21-33,22-33)25-10-12-26(13-11-25)35(37,38)39)30(44)18-43-29-7-5-6-28(29)31(45)40-32(43)46-19-24-8-14-27(36)15-9-24/h8-15H,3-7,16-23H2,1-2H3 | 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 | 0.398 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant LpPLA2 |
ACS Med Chem Lett 8: 43-48 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00281
BindingDB Entry DOI: 10.7270/Q2862JFC |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein 2
(Homo sapiens (Human)) | BDBM50547191
(CHEMBL4746468)Show SMILES CC(C)Oc1cc(ccc1-c1c([nH]c2cc(F)c(F)cc12)C(N)=O)N1CCNCC1 |(22.35,-9.28,;22.36,-10.82,;21.04,-11.61,;23.7,-11.58,;25.03,-10.8,;25.01,-9.26,;26.34,-8.47,;27.68,-9.23,;27.7,-10.77,;26.36,-11.55,;26.37,-13.09,;27.28,-14.35,;26.37,-15.6,;24.9,-15.12,;23.57,-15.89,;22.23,-15.12,;20.9,-15.89,;22.24,-13.58,;20.9,-12.81,;23.56,-12.81,;24.9,-13.57,;28.82,-14.35,;29.59,-13.01,;29.59,-15.68,;26.32,-6.93,;27.66,-6.14,;27.64,-4.6,;26.31,-3.84,;24.98,-4.62,;24.99,-6.17,)| | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MetAP2 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127533
BindingDB Entry DOI: 10.7270/Q2N58QZH |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein 2
(Homo sapiens (Human)) | BDBM50547190
(CHEMBL4762949)Show SMILES CC(C)Oc1cc(ccc1-c1c([nH]c2cc(F)c(Cl)cc12)C(N)=O)N1CCNCC1 |(7.01,-9.22,;7.03,-10.76,;5.7,-11.54,;8.37,-11.52,;9.69,-10.73,;9.67,-9.19,;11,-8.4,;12.35,-9.16,;12.36,-10.7,;11.02,-11.49,;11.04,-13.03,;11.95,-14.28,;11.04,-15.54,;9.56,-15.06,;8.23,-15.83,;6.9,-15.06,;5.56,-15.83,;6.9,-13.52,;5.57,-12.75,;8.23,-12.75,;9.56,-13.51,;13.49,-14.28,;14.26,-12.95,;14.26,-15.62,;10.99,-6.86,;12.32,-6.07,;12.31,-4.54,;10.97,-3.78,;9.64,-4.56,;9.65,-6.11,)| | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MetAP2 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127533
BindingDB Entry DOI: 10.7270/Q2N58QZH |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607759
(CHEMBL5218813)Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3cn[nH]c3)c2c1 |r,t:13| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein 2
(Homo sapiens (Human)) | BDBM50547180
(CHEMBL4796852)Show SMILES CC(C)Oc1ccccc1-c1c([nH]c2cc(F)c(Cl)cc12)C(N)=O |(52.36,-5.21,;52.38,-6.75,;51.05,-7.53,;53.72,-7.51,;55.04,-6.72,;55.02,-5.18,;56.35,-4.39,;57.7,-5.15,;57.71,-6.69,;56.37,-7.48,;56.39,-9.02,;57.3,-10.27,;56.39,-11.53,;54.91,-11.05,;53.58,-11.82,;52.25,-11.05,;50.91,-11.82,;52.25,-9.51,;50.92,-8.74,;53.58,-8.74,;54.91,-9.5,;58.84,-10.27,;59.61,-8.94,;59.61,-11.61,)| | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MetAP2 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127533
BindingDB Entry DOI: 10.7270/Q2N58QZH |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607759
(CHEMBL5218813)Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3cn[nH]c3)c2c1 |r,t:13| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein 2
(Homo sapiens (Human)) | BDBM50547179
(CHEMBL4743507)Show SMILES COc1ccccc1-c1c([nH]c2cc(F)c(Cl)cc12)C(N)=O |(34.17,-6.06,;35.51,-6.82,;36.83,-6.03,;36.81,-4.5,;38.14,-3.71,;39.48,-4.46,;39.5,-6,;38.16,-6.79,;38.17,-8.33,;39.08,-9.58,;38.17,-10.84,;36.7,-10.36,;35.37,-11.13,;34.04,-10.36,;32.71,-11.13,;34.04,-8.82,;32.71,-8.05,;35.37,-8.05,;36.7,-8.81,;40.62,-9.58,;41.39,-8.25,;41.39,-10.91,)| | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MetAP2 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127533
BindingDB Entry DOI: 10.7270/Q2N58QZH |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Displacement of (+)-JQ1 from 6H-Thr BRD4 Y97A mutant BD2 (unknown origin) after 30 mins by TR-FRET assay |
J Med Chem 61: 4317-4334 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01666
BindingDB Entry DOI: 10.7270/Q27H1N6W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607758
(CHEMBL5219991)Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3cnn(C)c3)c2c1 |r,t:13| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607761
(CHEMBL5221069)Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3c[nH]cn3)c2c1 |r,t:13| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607761
(CHEMBL5221069)Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3c[nH]cn3)c2c1 |r,t:13| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50526962
(CHEMBL4448056)Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cc(ccc2n1CC1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C24H30N4O3/c1-17-13-19(16-26(2)24(17)29)23-25-21-14-20(27-7-11-31-12-8-27)3-4-22(21)28(23)15-18-5-9-30-10-6-18/h3-4,13-14,16,18H,5-12,15H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated... |
J Med Chem 63: 714-746 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01670
BindingDB Entry DOI: 10.7270/Q2TF01RT |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607758
(CHEMBL5219991)Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3cnn(C)c3)c2c1 |r,t:13| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50526964
(CHEMBL4438171)Show SMILES COCC(COC)n1c(nc2cc(ccc12)N1CCOCC1)-c1cc(C)c(=O)n(C)c1 Show InChI InChI=1S/C23H30N4O4/c1-16-11-17(13-25(2)23(16)28)22-24-20-12-18(26-7-9-31-10-8-26)5-6-21(20)27(22)19(14-29-3)15-30-4/h5-6,11-13,19H,7-10,14-15H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607762
(CHEMBL5220494)Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3c[nH]c(C)n3)c2c1 |r,t:13| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50526964
(CHEMBL4438171)Show SMILES COCC(COC)n1c(nc2cc(ccc12)N1CCOCC1)-c1cc(C)c(=O)n(C)c1 Show InChI InChI=1S/C23H30N4O4/c1-16-11-17(13-25(2)23(16)28)22-24-20-12-18(26-7-9-31-10-8-26)5-6-21(20)27(22)19(14-29-3)15-30-4/h5-6,11-13,19H,7-10,14-15H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated... |
J Med Chem 63: 714-746 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01670
BindingDB Entry DOI: 10.7270/Q2TF01RT |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Displacement of (+)-JQ1 from 6H-Thr BRD4 Y390A mutant BD1 (unknown origin) after 30 mins by TR-FRET assay |
J Med Chem 61: 4317-4334 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01666
BindingDB Entry DOI: 10.7270/Q27H1N6W |
More data for this
Ligand-Target Pair | |
C-C motif chemokine 2
(Homo sapiens (Human)) | BDBM50607762
(CHEMBL5220494)Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3c[nH]c(C)n3)c2c1 |r,t:13| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607765
(CHEMBL5218726)Show SMILES C[C@@H]1c2ccc(cc2C(=CN(C)C1=O)c1cn[nH]c1)[C@H](O)CO |r,c:9| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50603088
(CHEMBL5203965)Show SMILES C[C@H]1C[C@@H](Nc2cccc(Cl)c2)c2cc(ccc2N1C(C)=O)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607769
(CHEMBL5219538)Show SMILES C[C@@H]1c2ccc(OCCO)cc2C(=CN(C)C1=O)c1c[nH]c(C)n1 |r,c:13| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607762
(CHEMBL5220494)Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3c[nH]c(C)n3)c2c1 |r,t:13| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607760
(CHEMBL5219194)Show SMILES CCOc1ccc2C(C)C(=O)N(C)C=C(c3cc[nH]n3)c2c1 |t:13| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
C-C motif chemokine 2
(Homo sapiens (Human)) | BDBM50607758
(CHEMBL5219991)Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3cnn(C)c3)c2c1 |r,t:13| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607765
(CHEMBL5218726)Show SMILES C[C@@H]1c2ccc(cc2C(=CN(C)C1=O)c1cn[nH]c1)[C@H](O)CO |r,c:9| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein 2
(Homo sapiens (Human)) | BDBM50547187
(CHEMBL4791887)Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1c([nH]c2ccc(Cl)cc12)C(N)=O | KEGG
UniProtKB/SwissProt
DrugBank
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MetAP2 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127533
BindingDB Entry DOI: 10.7270/Q2N58QZH |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein 2
(Homo sapiens (Human)) | BDBM50547178
(CHEMBL4800438)Show SMILES CC(C)Oc1ccccc1-c1c([nH]c2ccc(Cl)cc12)C(N)=O |(18.66,-6.9,;19.98,-6.12,;19.97,-4.58,;21.32,-6.88,;22.65,-6.09,;22.63,-4.55,;23.96,-3.76,;25.3,-4.52,;25.32,-6.06,;23.98,-6.85,;23.99,-8.39,;24.9,-9.64,;23.99,-10.9,;22.52,-10.42,;21.19,-11.19,;19.85,-10.42,;19.86,-8.88,;18.52,-8.11,;21.18,-8.11,;22.52,-8.87,;26.44,-9.64,;27.21,-8.31,;27.21,-10.98,)| | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MetAP2 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127533
BindingDB Entry DOI: 10.7270/Q2N58QZH |
More data for this
Ligand-Target Pair | |
C-C motif chemokine 2
(Homo sapiens (Human)) | BDBM50607759
(CHEMBL5218813)Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3cn[nH]c3)c2c1 |r,t:13| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607766
(CHEMBL5220128)Show SMILES C[C@@H]1c2ccc(cc2C(=CN(C)C1=O)c1cn[nH]c1)[C@@H](O)CO |r,c:9| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607763
(CHEMBL5218817)Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3cn(C)cn3)c2c1 |r,t:13| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50526959
(CHEMBL4522991)Show InChI InChI=1S/C20H23N3O2/c1-14-10-16(12-22(2)20(14)24)19-21-17-7-3-4-8-18(17)23(19)11-15-6-5-9-25-13-15/h3-4,7-8,10,12,15H,5-6,9,11,13H2,1-2H3 | PDB
KEGG
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B.MOAD
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 31.6 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated... |
J Med Chem 63: 714-746 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01670
BindingDB Entry DOI: 10.7270/Q2TF01RT |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50526959
(CHEMBL4522991)Show InChI InChI=1S/C20H23N3O2/c1-14-10-16(12-22(2)20(14)24)19-21-17-7-3-4-8-18(17)23(19)11-15-6-5-9-25-13-15/h3-4,7-8,10,12,15H,5-6,9,11,13H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated... |
J Med Chem 63: 714-746 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01670
BindingDB Entry DOI: 10.7270/Q2TF01RT |
More data for this
Ligand-Target Pair | |
C-C motif chemokine 2
(Homo sapiens (Human)) | BDBM50607766
(CHEMBL5220128)Show SMILES C[C@@H]1c2ccc(cc2C(=CN(C)C1=O)c1cn[nH]c1)[C@@H](O)CO |r,c:9| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607767
(CHEMBL5218909)Show SMILES C[C@@H]1c2ccc(cc2C(=CN(C)C1=O)c1cnn(C)c1)[C@H](O)CO |r,c:9| | PDB
KEGG
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B.MOAD
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607768
(CHEMBL5219602)Show SMILES C[C@@H]1c2ccc(cc2C(=CN(C)C1=O)c1cnn(C)c1)[C@@H](O)CO |r,c:9| | PDB
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MCE
PC cid
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UniChem
| Article
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
C-C motif chemokine 2
(Homo sapiens (Human)) | BDBM50607770
(CHEMBL5219919)Show SMILES C[C@@H]1c2ccc(cc2C(=CN(C)C1=O)c1cnn(C)c1)C(CO)CO |r,c:9| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607770
(CHEMBL5219919)Show SMILES C[C@@H]1c2ccc(cc2C(=CN(C)C1=O)c1cnn(C)c1)C(CO)CO |r,c:9| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50455493
(CHEMBL4213809)Show SMILES CC(=O)N1[C@H](CN(Cc2ccccc2CO)c2cc(ccc12)-c1cnc(nc1)C(N)=O)C1CC1 |r| Show InChI InChI=1S/C26H27N5O3/c1-16(33)31-22-9-8-18(21-11-28-26(25(27)34)29-12-21)10-23(22)30(14-24(31)17-6-7-17)13-19-4-2-3-5-20(19)15-32/h2-5,8-12,17,24,32H,6-7,13-15H2,1H3,(H2,27,34)/t24-/m1/s1 | PDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Inhibition of BRD3 BD2 (unknown origin) after 30 mins by TR-FRET assay |
J Med Chem 61: 4317-4334 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01666
BindingDB Entry DOI: 10.7270/Q27H1N6W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607767
(CHEMBL5218909)Show SMILES C[C@@H]1c2ccc(cc2C(=CN(C)C1=O)c1cnn(C)c1)[C@H](O)CO |r,c:9| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607760
(CHEMBL5219194)Show SMILES CCOc1ccc2C(C)C(=O)N(C)C=C(c3cc[nH]n3)c2c1 |t:13| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607763
(CHEMBL5218817)Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3cn(C)cn3)c2c1 |r,t:13| | PDB
KEGG
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607769
(CHEMBL5219538)Show SMILES C[C@@H]1c2ccc(OCCO)cc2C(=CN(C)C1=O)c1c[nH]c(C)n1 |r,c:13| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
C-C motif chemokine 2
(Homo sapiens (Human)) | BDBM50607769
(CHEMBL5219538)Show SMILES C[C@@H]1c2ccc(OCCO)cc2C(=CN(C)C1=O)c1c[nH]c(C)n1 |r,c:13| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50365262
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 | PDB
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| Purchase
CHEMBL
MCE
MMDB
PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Displacement of (+)-JQ1 from 6H-Thr BRD4 Y390A mutant BD1 (unknown origin) after 30 mins by TR-FRET assay |
J Med Chem 61: 4317-4334 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01666
BindingDB Entry DOI: 10.7270/Q27H1N6W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50526961
(CHEMBL4576013)Show SMILES COCC(COC)n1c(nc2ccccc12)-c1cc(C)c(=O)n(C)c1 Show InChI InChI=1S/C19H23N3O3/c1-13-9-14(10-21(2)19(13)23)18-20-16-7-5-6-8-17(16)22(18)15(11-24-3)12-25-4/h5-10,15H,11-12H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated... |
J Med Chem 63: 714-746 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01670
BindingDB Entry DOI: 10.7270/Q2TF01RT |
More data for this
Ligand-Target Pair | |
Methionine aminopeptidase 2
(Mus musculus (Mouse)) | BDBM50547191
(CHEMBL4746468)Show SMILES CC(C)Oc1cc(ccc1-c1c([nH]c2cc(F)c(F)cc12)C(N)=O)N1CCNCC1 |(22.35,-9.28,;22.36,-10.82,;21.04,-11.61,;23.7,-11.58,;25.03,-10.8,;25.01,-9.26,;26.34,-8.47,;27.68,-9.23,;27.7,-10.77,;26.36,-11.55,;26.37,-13.09,;27.28,-14.35,;26.37,-15.6,;24.9,-15.12,;23.57,-15.89,;22.23,-15.12,;20.9,-15.89,;22.24,-13.58,;20.9,-12.81,;23.56,-12.81,;24.9,-13.57,;28.82,-14.35,;29.59,-13.01,;29.59,-15.68,;26.32,-6.93,;27.66,-6.14,;27.64,-4.6,;26.31,-3.84,;24.98,-4.62,;24.99,-6.17,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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UniChem
| PDB
Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MetAP2 in mouse B cells assessed as reduction in IgG secretion |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127533
BindingDB Entry DOI: 10.7270/Q2N58QZH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607766
(CHEMBL5220128)Show SMILES C[C@@H]1c2ccc(cc2C(=CN(C)C1=O)c1cn[nH]c1)[C@@H](O)CO |r,c:9| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50607757
(CHEMBL5218822)Show SMILES CCS(=O)(=O)c1ccc2[C@@H](C)C(=O)N(C)C=C(c3cnn(C)c3)c2c1 |r,t:15| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR |
More data for this
Ligand-Target Pair | |
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