Found 384 hits with Last Name = 'shehu' and Initial = 'e' 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 |
|---|
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50513361
(CHEMBL4567766)Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccc(c2)-c2cccnc2)cn1 Show InChI InChI=1S/C28H27N7O/c36-28-25-6-11-30-27(26(25)31-19-32-28)35-18-20(16-33-35)7-12-34-13-8-21(9-14-34)22-3-1-4-23(15-22)24-5-2-10-29-17-24/h1-6,10-11,15-19,21H,7-9,12-14H2,(H,31,32,36) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Binding affinity to KDM5B (unknown origin) |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50513345
(CHEMBL4438830)Show SMILES CN(C)CCc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C27H33N7O/c1-32(2)12-7-20-4-3-5-23(16-20)22-9-14-33(15-10-22)13-8-21-17-31-34(18-21)26-25-24(6-11-28-26)27(35)30-19-29-25/h3-6,11,16-19,22H,7-10,12-15H2,1-2H3,(H,29,30,35) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Binding affinity to KDM5B (unknown origin) |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50151923
(CHEMBL3774537)Show SMILES Clc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C23H23ClN6O/c24-19-3-1-2-18(12-19)17-6-10-29(11-7-17)9-5-16-13-28-30(14-16)22-21-20(4-8-25-22)23(31)27-15-26-21/h1-4,8,12-15,17H,5-7,9-11H2,(H,26,27,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
| PDB
Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Binding affinity to KDM5B (unknown origin) |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Lysine-specific demethylase 4A
(Homo sapiens (Human)) | BDBM50513345
(CHEMBL4438830)Show SMILES CN(C)CCc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C27H33N7O/c1-32(2)12-7-20-4-3-5-23(16-20)22-9-14-33(15-10-22)13-8-21-17-31-34(18-21)26-25-24(6-11-28-26)27(35)30-19-29-25/h3-6,11,16-19,22H,7-10,12-15H2,1-2H3,(H,29,30,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Binding affinity to KDM4A (unknown origin) |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50513360
(CHEMBL4573390)Show SMILES CC1(CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C24H25ClN6O/c1-24(18-3-2-4-19(25)13-18)7-11-30(12-8-24)10-6-17-14-29-31(15-17)22-21-20(5-9-26-22)23(32)28-16-27-21/h2-5,9,13-16H,6-8,10-12H2,1H3,(H,27,28,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Binding affinity to KDM5B (unknown origin) |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50513344
(CHEMBL4447515)Show SMILES Fc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C23H23FN6O/c24-19-3-1-2-18(12-19)17-6-10-29(11-7-17)9-5-16-13-28-30(14-16)22-21-20(4-8-25-22)23(31)27-15-26-21/h1-4,8,12-15,17H,5-7,9-11H2,(H,26,27,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Binding affinity to KDM5B (unknown origin) |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | |
Lysine-specific demethylase 4A
(Homo sapiens (Human)) | BDBM50513361
(CHEMBL4567766)Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccc(c2)-c2cccnc2)cn1 Show InChI InChI=1S/C28H27N7O/c36-28-25-6-11-30-27(26(25)31-19-32-28)35-18-20(16-33-35)7-12-34-13-8-21(9-14-34)22-3-1-4-23(15-22)24-5-2-10-29-17-24/h1-6,10-11,15-19,21H,7-9,12-14H2,(H,31,32,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Binding affinity to KDM4A (unknown origin) |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | |
Lysine-specific demethylase 4A
(Homo sapiens (Human)) | BDBM50151923
(CHEMBL3774537)Show SMILES Clc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C23H23ClN6O/c24-19-3-1-2-18(12-19)17-6-10-29(11-7-17)9-5-16-13-28-30(14-16)22-21-20(4-8-25-22)23(31)27-15-26-21/h1-4,8,12-15,17H,5-7,9-11H2,(H,26,27,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
| PDB
Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Binding affinity to KDM4A (unknown origin) |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Lysine-specific demethylase 4A
(Homo sapiens (Human)) | BDBM50513343
(CHEMBL4449500)Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC3(CCc4ccccc34)CC2)cn1 Show InChI InChI=1S/C25H26N6O/c32-24-20-6-11-26-23(22(20)27-17-28-24)31-16-18(15-29-31)7-12-30-13-9-25(10-14-30)8-5-19-3-1-2-4-21(19)25/h1-4,6,11,15-17H,5,7-10,12-14H2,(H,27,28,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Binding affinity to KDM4A (unknown origin) |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50513348
(CHEMBL4585876)Show SMILES CN(C)CCc1ccc(cc1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C27H33N7O/c1-32(2)13-8-20-3-5-22(6-4-20)23-10-15-33(16-11-23)14-9-21-17-31-34(18-21)26-25-24(7-12-28-26)27(35)30-19-29-25/h3-7,12,17-19,23H,8-11,13-16H2,1-2H3,(H,29,30,35) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Binding affinity to KDM5B (unknown origin) |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | |
Lysine-specific demethylase 4A
(Homo sapiens (Human)) | BDBM50513348
(CHEMBL4585876)Show SMILES CN(C)CCc1ccc(cc1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C27H33N7O/c1-32(2)13-8-20-3-5-22(6-4-20)23-10-15-33(16-11-23)14-9-21-17-31-34(18-21)26-25-24(7-12-28-26)27(35)30-19-29-25/h3-7,12,17-19,23H,8-11,13-16H2,1-2H3,(H,29,30,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Binding affinity to KDM4A (unknown origin) |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Lysine-specific demethylase 4A
(Homo sapiens (Human)) | BDBM50513344
(CHEMBL4447515)Show SMILES Fc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C23H23FN6O/c24-19-3-1-2-18(12-19)17-6-10-29(11-7-17)9-5-16-13-28-30(14-16)22-21-20(4-8-25-22)23(31)27-15-26-21/h1-4,8,12-15,17H,5-7,9-11H2,(H,26,27,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Binding affinity to KDM4A (unknown origin) |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | |
Lysine-specific demethylase 4A
(Homo sapiens (Human)) | BDBM50513360
(CHEMBL4573390)Show SMILES CC1(CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C24H25ClN6O/c1-24(18-3-2-4-19(25)13-18)7-11-30(12-8-24)10-6-17-14-29-31(15-17)22-21-20(5-9-26-22)23(32)28-16-27-21/h2-5,9,13-16H,6-8,10-12H2,1H3,(H,27,28,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Binding affinity to KDM4A (unknown origin) |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50513343
(CHEMBL4449500)Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC3(CCc4ccccc34)CC2)cn1 Show InChI InChI=1S/C25H26N6O/c32-24-20-6-11-26-23(22(20)27-17-28-24)31-16-18(15-29-31)7-12-30-13-9-25(10-14-30)8-5-19-3-1-2-4-21(19)25/h1-4,6,11,15-17H,5,7-10,12-14H2,(H,27,28,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Binding affinity to KDM5B (unknown origin) |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50513346
(CHEMBL4525269)Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(cn1)C1CCN(CC2CCC2)CC1 Show InChI InChI=1S/C20H24N6O/c27-20-17-4-7-21-19(18(17)22-13-23-20)26-12-16(10-24-26)15-5-8-25(9-6-15)11-14-2-1-3-14/h4,7,10,12-15H,1-3,5-6,8-9,11H2,(H,22,23,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Binding affinity to KDM5B (unknown origin) |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Lysine-specific demethylase 4A
(Homo sapiens (Human)) | BDBM50513346
(CHEMBL4525269)Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(cn1)C1CCN(CC2CCC2)CC1 Show InChI InChI=1S/C20H24N6O/c27-20-17-4-7-21-19(18(17)22-13-23-20)26-12-16(10-24-26)15-5-8-25(9-6-15)11-14-2-1-3-14/h4,7,10,12-15H,1-3,5-6,8-9,11H2,(H,22,23,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Binding affinity to KDM4A (unknown origin) |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Homo sapiens (Human)) | BDBM50570849
(CHEMBL4854733)Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CP(O)(=O)[C@@H](N)CCc1ccccc1 |r| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of APN (unknown origin) using A-AMC as substrate |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128050
BindingDB Entry DOI: 10.7270/Q2445R98 |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Homo sapiens (Human)) | BDBM50570849
(CHEMBL4854733)Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CP(O)(=O)[C@@H](N)CCc1ccccc1 |r| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of APN (unknown origin) using A-AMC as substrate |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128050
BindingDB Entry DOI: 10.7270/Q2445R98 |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Homo sapiens (Human)) | BDBM50570850
(CHEMBL4877339)Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| | PDB
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
Inhibition of APN (unknown origin) using A-AMC as substrate |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128050
BindingDB Entry DOI: 10.7270/Q2445R98 |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Homo sapiens (Human)) | BDBM50570850
(CHEMBL4877339)Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| | PDB
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
Inhibition of APN (unknown origin) using A-AMC as substrate |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128050
BindingDB Entry DOI: 10.7270/Q2445R98 |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Homo sapiens (Human)) | BDBM50076744
(CHEMBL3416733)Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of APN (unknown origin) using A-AMC as substrate |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128050
BindingDB Entry DOI: 10.7270/Q2445R98 |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Homo sapiens (Human)) | BDBM50076744
(CHEMBL3416733)Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
NCI pathway
Reactome pathway
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| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of APN (unknown origin) using A-AMC as substrate |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128050
BindingDB Entry DOI: 10.7270/Q2445R98 |
More data for this
Ligand-Target Pair | |
Lysine-specific demethylase 4B
(Homo sapiens (Human)) | BDBM50513345
(CHEMBL4438830)Show SMILES CN(C)CCc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C27H33N7O/c1-32(2)12-7-20-4-3-5-23(16-20)22-9-14-33(15-10-22)13-8-21-17-31-34(18-21)26-25-24(6-11-28-26)27(35)30-19-29-25/h3-6,11,16-19,22H,7-10,12-15H2,1-2H3,(H,29,30,35) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as subs... |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM438600
(US10618902, Compound I-281)Show SMILES COc1cc(OC)c(F)c(c1F)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(4.49,5.76,;5.82,4.99,;5.82,3.45,;7.16,2.68,;7.16,1.14,;8.49,.37,;9.82,1.14,;5.82,.37,;5.82,-1.17,;4.49,1.14,;4.49,2.68,;3.16,3.45,;3.16,.37,;1.82,1.14,;.49,.37,;-.85,1.14,;-2.18,.37,;-2.18,-1.17,;-3.51,-1.94,;-4.85,-1.17,;-5.01,.36,;-6.51,.68,;-7.28,-.65,;-6.25,-1.8,;-6.57,-3.3,;-8.04,-3.78,;-9.18,-2.75,;-8.36,-5.28,;-9.82,-5.76,;-.85,-1.94,;.49,-1.17,;1.82,-1.94,;1.82,-3.48,;3.16,-1.17,;4.49,-1.94,)| Show InChI InChI=1S/C23H23F2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1 | PDB
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| Article
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| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human wild type N-His tagged FGFR4 (460-802) using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN |
More data for this
Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50513343
(CHEMBL4449500)Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC3(CCc4ccccc34)CC2)cn1 Show InChI InChI=1S/C25H26N6O/c32-24-20-6-11-26-23(22(20)27-17-28-24)31-16-18(15-29-31)7-12-30-13-9-25(10-14-30)8-5-19-3-1-2-4-21(19)25/h1-4,6,11,15-17H,5,7-10,12-14H2,(H,27,28,32) | PDB
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| Article
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of full length human KDM5B assessed as decrease in demethylation of substrate using peptide ARTK(me3)QTARKSTGGKAPRKQLA-GGK-biotin as subst... |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | |
Lysine-specific demethylase 4B
(Homo sapiens (Human)) | BDBM50513343
(CHEMBL4449500)Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC3(CCc4ccccc34)CC2)cn1 Show InChI InChI=1S/C25H26N6O/c32-24-20-6-11-26-23(22(20)27-17-28-24)31-16-18(15-29-31)7-12-30-13-9-25(10-14-30)8-5-19-3-1-2-4-21(19)25/h1-4,6,11,15-17H,5,7-10,12-14H2,(H,27,28,32) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as subs... |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM438569
(US10618902, Compound I-250)Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3COC[C@@H]3NS(=O)(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(7.98,5.76,;6.65,4.99,;6.65,3.45,;7.98,2.68,;7.98,1.14,;9.32,.37,;9.32,-1.27,;6.65,.37,;6.65,-1.17,;5.31,1.14,;5.31,2.68,;3.98,3.45,;3.98,.37,;2.65,1.14,;1.31,.37,;-.02,1.14,;-1.35,.37,;-1.35,-1.17,;-2.69,-1.94,;-4.02,-1.17,;-4.18,.36,;-5.69,.68,;-6.46,-.65,;-5.43,-1.8,;-5.75,-3.3,;-7.21,-3.78,;-8.36,-2.75,;-8.68,-4.25,;-7.53,-5.28,;-9,-5.76,;-.02,-1.94,;1.31,-1.17,;2.65,-1.94,;2.65,-3.48,;3.98,-1.17,;5.31,-1.94,)| Show InChI InChI=1S/C22H23Cl2N5O6S/c1-5-36(31,32)28-14-10-35-9-13(14)26-22-25-8-11-6-12(21(30)29(2)20(11)27-22)17-18(23)15(33-3)7-16(34-4)19(17)24/h5-8,13-14,28H,1,9-10H2,2-4H3,(H,25,26,27)/t13-,14+/m1/s1 | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human wild type N-His tagged FGFR4 (460-802) using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN |
More data for this
Ligand-Target Pair | |
Lysine-specific demethylase 4B
(Homo sapiens (Human)) | BDBM50513345
(CHEMBL4438830)Show SMILES CN(C)CCc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C27H33N7O/c1-32(2)12-7-20-4-3-5-23(16-20)22-9-14-33(15-10-22)13-8-21-17-31-34(18-21)26-25-24(6-11-28-26)27(35)30-19-29-25/h3-6,11,16-19,22H,7-10,12-15H2,1-2H3,(H,29,30,35) | PDB
UniProtKB/SwissProt
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| PC cid
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| Article
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as subs... |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50513345
(CHEMBL4438830)Show SMILES CN(C)CCc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C27H33N7O/c1-32(2)12-7-20-4-3-5-23(16-20)22-9-14-33(15-10-22)13-8-21-17-31-34(18-21)26-25-24(6-11-28-26)27(35)30-19-29-25/h3-6,11,16-19,22H,7-10,12-15H2,1-2H3,(H,29,30,35) | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
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UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of KDM5B (unknown origin) assessed as decrease in demethylation of substrate using peptide (H3(1-21)K4-Me3-GGKBiotin) as substrate and 2OG... |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM438598
(US10618902, Compound I-279)Show SMILES COc1cc(OC)c(Cl)c(c1F)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(9.16,-1.17,;9.16,.37,;7.82,1.14,;7.82,2.68,;6.49,3.45,;6.49,4.99,;7.82,5.76,;5.16,2.68,;3.82,3.45,;5.16,1.14,;6.49,.37,;6.49,-1.17,;3.82,.37,;2.49,1.14,;1.15,.37,;-.18,1.14,;-1.51,.37,;-1.51,-1.17,;-2.85,-1.94,;-4.18,-1.17,;-4.34,.36,;-5.85,.68,;-6.62,-.65,;-5.59,-1.8,;-5.91,-3.3,;-7.37,-3.78,;-8.52,-2.75,;-7.69,-5.28,;-9.16,-5.76,;-.18,-1.94,;1.15,-1.17,;2.49,-1.94,;2.49,-3.48,;3.82,-1.17,;5.16,-1.94,)| Show InChI InChI=1S/C23H23ClFN5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1 | PDB
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| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human wild type N-His tagged FGFR4 (460-802) using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM100954
(US10189794, Compound I-241 | US10618902, Compound ...)Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(9.29,-1.34,;9.29,.2,;7.95,.97,;7.95,2.51,;6.62,3.28,;6.62,4.82,;5.29,5.59,;5.29,2.51,;3.95,3.28,;5.29,.97,;6.62,.2,;6.62,-1.34,;3.95,.2,;2.62,.97,;1.28,.2,;-.05,.97,;-1.38,.2,;-1.38,-1.34,;-2.72,-2.11,;-4.05,-1.34,;-4.05,.2,;-5.51,.67,;-6.42,-.57,;-5.51,-1.82,;-5.91,-3.3,;-7.4,-3.7,;-8.49,-2.61,;-7.8,-5.19,;-9.29,-5.59,;-.05,-2.11,;1.28,-1.34,;2.62,-2.11,;2.62,-3.65,;3.95,-1.34,;5.29,-2.11,)| Show InChI InChI=1S/C23H23Cl2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1 | PDB
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| PDB
Article
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| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human wild type N-His tagged FGFR4 (460-802) using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50513343
(CHEMBL4449500)Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC3(CCc4ccccc34)CC2)cn1 Show InChI InChI=1S/C25H26N6O/c32-24-20-6-11-26-23(22(20)27-17-28-24)31-16-18(15-29-31)7-12-30-13-9-25(10-14-30)8-5-19-3-1-2-4-21(19)25/h1-4,6,11,15-17H,5,7-10,12-14H2,(H,27,28,32) | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of full length human KDM5B assessed as decrease in demethylation of substrate using peptide ARTK(me3)QTARKSTGGKAPRKQLA-GGK-biotin as subst... |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM438598
(US10618902, Compound I-279)Show SMILES COc1cc(OC)c(Cl)c(c1F)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(9.16,-1.17,;9.16,.37,;7.82,1.14,;7.82,2.68,;6.49,3.45,;6.49,4.99,;7.82,5.76,;5.16,2.68,;3.82,3.45,;5.16,1.14,;6.49,.37,;6.49,-1.17,;3.82,.37,;2.49,1.14,;1.15,.37,;-.18,1.14,;-1.51,.37,;-1.51,-1.17,;-2.85,-1.94,;-4.18,-1.17,;-4.34,.36,;-5.85,.68,;-6.62,-.65,;-5.59,-1.8,;-5.91,-3.3,;-7.37,-3.78,;-8.52,-2.75,;-7.69,-5.28,;-9.16,-5.76,;-.18,-1.94,;1.15,-1.17,;2.49,-1.94,;2.49,-3.48,;3.82,-1.17,;5.16,-1.94,)| Show InChI InChI=1S/C23H23ClFN5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1 | PDB
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| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FGFR4 (unknown origin) expressed in human Huh7 cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discov... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN |
More data for this
Ligand-Target Pair | |
Lysine-specific demethylase 4B
(Homo sapiens (Human)) | BDBM50513345
(CHEMBL4438830)Show SMILES CN(C)CCc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C27H33N7O/c1-32(2)12-7-20-4-3-5-23(16-20)22-9-14-33(15-10-22)13-8-21-17-31-34(18-21)26-25-24(6-11-28-26)27(35)30-19-29-25/h3-6,11,16-19,22H,7-10,12-15H2,1-2H3,(H,29,30,35) | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as subs... |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | |
Lysine-specific demethylase 4B
(Homo sapiens (Human)) | BDBM50513345
(CHEMBL4438830)Show SMILES CN(C)CCc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C27H33N7O/c1-32(2)12-7-20-4-3-5-23(16-20)22-9-14-33(15-10-22)13-8-21-17-31-34(18-21)26-25-24(6-11-28-26)27(35)30-19-29-25/h3-6,11,16-19,22H,7-10,12-15H2,1-2H3,(H,29,30,35) | PDB
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| PC cid
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human KDM4B (1 to 500 residues) expressed in baculovirus infected Sf9 insect cells assessed as decrea... |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | |
Lysine-specific demethylase 4B
(Homo sapiens (Human)) | BDBM50513343
(CHEMBL4449500)Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC3(CCc4ccccc34)CC2)cn1 Show InChI InChI=1S/C25H26N6O/c32-24-20-6-11-26-23(22(20)27-17-28-24)31-16-18(15-29-31)7-12-30-13-9-25(10-14-30)8-5-19-3-1-2-4-21(19)25/h1-4,6,11,15-17H,5,7-10,12-14H2,(H,27,28,32) | PDB
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Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as subs... |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Homo sapiens (Human)) | BDBM50570851
(CHEMBL4853049)Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 |r| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of APN (unknown origin) using A-AMC as substrate |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128050
BindingDB Entry DOI: 10.7270/Q2445R98 |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Homo sapiens (Human)) | BDBM50570851
(CHEMBL4853049)Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 |r| | PDB
NCI pathway
Reactome pathway
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| PC cid
PC sid
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| Article
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| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of APN (unknown origin) using A-AMC as substrate |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128050
BindingDB Entry DOI: 10.7270/Q2445R98 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM100954
(US10189794, Compound I-241 | US10618902, Compound ...)Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(9.29,-1.34,;9.29,.2,;7.95,.97,;7.95,2.51,;6.62,3.28,;6.62,4.82,;5.29,5.59,;5.29,2.51,;3.95,3.28,;5.29,.97,;6.62,.2,;6.62,-1.34,;3.95,.2,;2.62,.97,;1.28,.2,;-.05,.97,;-1.38,.2,;-1.38,-1.34,;-2.72,-2.11,;-4.05,-1.34,;-4.05,.2,;-5.51,.67,;-6.42,-.57,;-5.51,-1.82,;-5.91,-3.3,;-7.4,-3.7,;-8.49,-2.61,;-7.8,-5.19,;-9.29,-5.59,;-.05,-2.11,;1.28,-1.34,;2.62,-2.11,;2.62,-3.65,;3.95,-1.34,;5.29,-2.11,)| Show InChI InChI=1S/C23H23Cl2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1 | PDB
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TBA
| Assay Description
Inhibition of FGFR4 (unknown origin) expressed in human Huh7 cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discov... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50513343
(CHEMBL4449500)Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC3(CCc4ccccc34)CC2)cn1 Show InChI InChI=1S/C25H26N6O/c32-24-20-6-11-26-23(22(20)27-17-28-24)31-16-18(15-29-31)7-12-30-13-9-25(10-14-30)8-5-19-3-1-2-4-21(19)25/h1-4,6,11,15-17H,5,7-10,12-14H2,(H,27,28,32) | PDB
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Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of full length human KDM5B assessed as decrease in demethylation of substrate using peptide ARTK(me3)QTARKSTGGKAPRKQLA-GGK-biotin as subst... |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM438613
(US10618902, Compound I-294)Show SMILES COc1cc(OC)c(C)c(c1C)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(7.82,5.76,;6.49,4.99,;6.49,3.45,;7.82,2.68,;7.82,1.14,;9.16,.37,;9.16,-1.17,;6.49,.37,;6.49,-1.17,;5.16,1.14,;5.16,2.68,;3.82,3.45,;3.82,.37,;2.49,1.14,;1.15,.37,;-.18,1.14,;-1.51,.37,;-1.51,-1.17,;-2.85,-1.94,;-4.18,-1.17,;-4.34,.36,;-5.85,.68,;-6.62,-.65,;-5.59,-1.8,;-5.91,-3.3,;-7.37,-3.78,;-8.52,-2.75,;-7.69,-5.28,;-9.16,-5.76,;-.18,-1.94,;1.15,-1.17,;2.49,-1.94,;2.49,-3.48,;3.82,-1.17,;5.16,-1.94,)| Show InChI InChI=1S/C25H29N5O5/c1-7-21(31)27-17-11-35-12-18(17)28-25-26-10-15-8-16(24(32)30(4)23(15)29-25)22-13(2)19(33-5)9-20(34-6)14(22)3/h7-10,17-18H,1,11-12H2,2-6H3,(H,27,31)(H,26,28,29)/t17-,18+/m0/s1 | PDB
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TBA
| Assay Description
Inhibition of recombinant human wild type N-His tagged FGFR4 (460-802) using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN |
More data for this
Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50513343
(CHEMBL4449500)Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC3(CCc4ccccc34)CC2)cn1 Show InChI InChI=1S/C25H26N6O/c32-24-20-6-11-26-23(22(20)27-17-28-24)31-16-18(15-29-31)7-12-30-13-9-25(10-14-30)8-5-19-3-1-2-4-21(19)25/h1-4,6,11,15-17H,5,7-10,12-14H2,(H,27,28,32) | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of full length human KDM5B assessed as decrease in demethylation of substrate using peptide ARTK(me3)QTARKSTGGKAPRKQLA-GGK-biotin as subst... |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM438600
(US10618902, Compound I-281)Show SMILES COc1cc(OC)c(F)c(c1F)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(4.49,5.76,;5.82,4.99,;5.82,3.45,;7.16,2.68,;7.16,1.14,;8.49,.37,;9.82,1.14,;5.82,.37,;5.82,-1.17,;4.49,1.14,;4.49,2.68,;3.16,3.45,;3.16,.37,;1.82,1.14,;.49,.37,;-.85,1.14,;-2.18,.37,;-2.18,-1.17,;-3.51,-1.94,;-4.85,-1.17,;-5.01,.36,;-6.51,.68,;-7.28,-.65,;-6.25,-1.8,;-6.57,-3.3,;-8.04,-3.78,;-9.18,-2.75,;-8.36,-5.28,;-9.82,-5.76,;-.85,-1.94,;.49,-1.17,;1.82,-1.94,;1.82,-3.48,;3.16,-1.17,;4.49,-1.94,)| Show InChI InChI=1S/C23H23F2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1 | PDB
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TBA
| Assay Description
Inhibition of FGFR4 (unknown origin) expressed in human Huh7 cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discov... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN |
More data for this
Ligand-Target Pair | |
Endoplasmic reticulum aminopeptidase 2
(Homo sapiens (Human)) | BDBM50076744
(CHEMBL3416733)Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human ERAP2 using R-AMC as substrate incubated for 5 to 10 mins by fluorescence based assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128050
BindingDB Entry DOI: 10.7270/Q2445R98 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50513372
(CHEMBL4440395)Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccc(CCN3CCOCC3)c2)cn1 Show InChI InChI=1S/C29H35N7O2/c37-29-26-4-9-30-28(27(26)31-21-32-29)36-20-23(19-33-36)6-11-34-12-7-24(8-13-34)25-3-1-2-22(18-25)5-10-35-14-16-38-17-15-35/h1-4,9,18-21,24H,5-8,10-17H2,(H,31,32,37) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of KDM5B (unknown origin) assessed as decrease in demethylation of substrate using peptide (H3(1-21)K4-Me3-GGKBiotin) as substrate and 2OG... |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50513348
(CHEMBL4585876)Show SMILES CN(C)CCc1ccc(cc1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C27H33N7O/c1-32(2)13-8-20-3-5-22(6-4-20)23-10-15-33(16-11-23)14-9-21-17-31-34(18-21)26-25-24(7-12-28-26)27(35)30-19-29-25/h3-7,12,17-19,23H,8-11,13-16H2,1-2H3,(H,29,30,35) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of KDM5B (unknown origin) assessed as decrease in demethylation of substrate using peptide (H3(1-21)K4-Me3-GGKBiotin) as substrate and 2OG... |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50513352
(CHEMBL4592908)Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccc(CN3CCCC3)c2)cn1 Show InChI InChI=1S/C28H33N7O/c36-28-25-6-10-29-27(26(25)30-20-31-28)35-19-22(17-32-35)7-13-33-14-8-23(9-15-33)24-5-3-4-21(16-24)18-34-11-1-2-12-34/h3-6,10,16-17,19-20,23H,1-2,7-9,11-15,18H2,(H,30,31,36) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of KDM5B (unknown origin) assessed as decrease in demethylation of substrate using peptide (H3(1-21)K4-Me3-GGKBiotin) as substrate and 2OG... |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | |
Lysine-specific demethylase 4B
(Homo sapiens (Human)) | BDBM50513345
(CHEMBL4438830)Show SMILES CN(C)CCc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C27H33N7O/c1-32(2)12-7-20-4-3-5-23(16-20)22-9-14-33(15-10-22)13-8-21-17-31-34(18-21)26-25-24(6-11-28-26)27(35)30-19-29-25/h3-6,11,16-19,22H,7-10,12-15H2,1-2H3,(H,29,30,35) | PDB
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Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as subs... |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | |
Lysine-specific demethylase 4B
(Homo sapiens (Human)) | BDBM50513343
(CHEMBL4449500)Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC3(CCc4ccccc34)CC2)cn1 Show InChI InChI=1S/C25H26N6O/c32-24-20-6-11-26-23(22(20)27-17-28-24)31-16-18(15-29-31)7-12-30-13-9-25(10-14-30)8-5-19-3-1-2-4-21(19)25/h1-4,6,11,15-17H,5,7-10,12-14H2,(H,27,28,32) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as subs... |
Eur J Med Chem 177: 316-337 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.041
BindingDB Entry DOI: 10.7270/Q25B05TF |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM438573
(US10618902, Compound I-254)Show SMILES COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r| Show InChI InChI=1S/C23H24ClN5O5/c1-5-19(30)26-16-10-34-11-17(16)27-23-25-9-12-6-15(22(31)29(2)21(12)28-23)14-7-13(32-3)8-18(33-4)20(14)24/h5-9,16-17H,1,10-11H2,2-4H3,(H,26,30)(H,25,27,28)/t16-,17+/m0/s1 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human wild type N-His tagged FGFR4 (460-802) using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN |
More data for this
Ligand-Target Pair | |
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