Found 177 hits with Last Name = 'sabatini' and Initial = 's' 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 |
|---|
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50253154
(CHEMBL492265 | N-Cyclopropyl-4-methyl-3-(1-(2-meth...)Show SMILES Cc1ccccc1-c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C26H23N3O/c1-16-5-3-4-6-22(16)25-23-12-9-18(13-20(23)15-27-29-25)24-14-19(8-7-17(24)2)26(30)28-21-10-11-21/h3-9,12-15,21H,10-11H2,1-2H3,(H,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50313107
(4-chloro-N-cyclopropyl-3-(1-(2,6-difluorophenyl)-1...)Show SMILES Fc1cccc(F)c1-n1ncc2c(Nc3cc(ccc3Cl)C(=O)NC3CC3)nncc12 |(-6.01,-8.16,;-5.23,-9.48,;-5.98,-10.82,;-5.21,-12.15,;-3.66,-12.13,;-2.9,-10.79,;-1.37,-10.77,;-3.69,-9.47,;-2.93,-8.14,;-3.84,-6.9,;-2.95,-5.64,;-1.48,-6.1,;-.16,-5.33,;-.1,-3.79,;1.27,-3.07,;2.56,-3.9,;3.92,-3.18,;3.98,-1.64,;2.68,-.83,;1.32,-1.54,;.02,-.73,;5.22,-4.01,;5.16,-5.55,;6.59,-3.29,;7.89,-4.12,;8.6,-5.48,;9.43,-4.18,;1.18,-6.08,;1.19,-7.63,;-.14,-8.4,;-1.47,-7.64,)| Show InChI InChI=1S/C21H15ClF2N6O/c22-14-7-4-11(21(31)27-12-5-6-12)8-17(14)28-20-13-9-26-30(18(13)10-25-29-20)19-15(23)2-1-3-16(19)24/h1-4,7-10,12H,5-6H2,(H,27,31)(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50314780
(CHEMBL1091199 | N-Cyclopropyl-3-(1-(2,4-difluoroph...)Show SMILES Cc1ccc(cc1-c1cc2cnn(-c3ccc(F)cc3F)c2n(C)c1=O)C(=O)NC1CC1 Show InChI InChI=1S/C24H20F2N4O2/c1-13-3-4-14(22(31)28-17-6-7-17)9-18(13)19-10-15-12-27-30(23(15)29(2)24(19)32)21-8-5-16(25)11-20(21)26/h3-5,8-12,17H,6-7H2,1-2H3,(H,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50002338
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Raclopride from human D2 receptor (unknown origin) expressed in HEK293 cell membranes |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50418613
(CHEMBL1232887)Show SMILES Cc1ccc(cc1-c1ccc(cn1)C(=O)NCC1CC1)C(=O)NC1CC1 Show InChI InChI=1S/C21H23N3O2/c1-13-2-5-15(21(26)24-17-7-8-17)10-18(13)19-9-6-16(12-22-19)20(25)23-11-14-3-4-14/h2,5-6,9-10,12,14,17H,3-4,7-8,11H2,1H3,(H,23,25)(H,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50265033
(CHEMBL522579 | N-cyclopropyl-2',6-dimethyl-4'-(5-m...)Show SMILES Cc1nnc(o1)-c1ccc(c(C)c1)-c1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C21H21N3O2/c1-12-4-5-15(20(25)22-17-7-8-17)11-19(12)18-9-6-16(10-13(18)2)21-24-23-14(3)26-21/h4-6,9-11,17H,7-8H2,1-3H3,(H,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50263093
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 3-cyclopr...)Show SMILES Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1 Show InChI InChI=1S/C22H24N2O2/c1-14-2-5-18(22(26)24-19-10-11-19)12-20(14)16-6-8-17(9-7-16)21(25)23-13-15-3-4-15/h2,5-9,12,15,19H,3-4,10-11,13H2,1H3,(H,23,25)(H,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50002338
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cells |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50002338
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ketanserin from human 5HT2A receptor expressed in CHO-K1 cells |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50002338
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 181 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50565002
(CHEMBL4778666)Show SMILES Cl.[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7]-1-c2ccc(Br)cc2[Se;v2]c2cc(Br)ccc-12 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 222 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cells |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM25980
(BMCL18324 Compound 3 | CHEMBL270164 | N-(3-cyanoph...)Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)Nc1cccc(c1)C#N Show InChI InChI=1S/C24H18N4O2/c1-15-6-7-20(24-28-27-16(2)30-24)13-22(15)18-8-10-19(11-9-18)23(29)26-21-5-3-4-17(12-21)14-25/h3-13H,1-2H3,(H,26,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PDB
Article
PubMed
| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Genome polyprotein
(Dengue virus) | BDBM50464499
(CHEMBL4288319)Show SMILES Fc1ccc(cc1F)C(=O)OC1=CS(=O)(=O)Nc2ccc(Oc3ccccc3Br)cc12 |t:12| Show InChI InChI=1S/C21H12BrF2NO5S/c22-15-3-1-2-4-19(15)29-13-6-8-18-14(10-13)20(11-31(27,28)25-18)30-21(26)12-5-7-16(23)17(24)9-12/h1-11,25H | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 252 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Perugia
Curated by ChEMBL
| Assay Description
Mixed type inhibition of DENV3 NS5 RdRp using increasing concentration of GTP as substrate assessed as free enzyme after 1 hr in presence of ss-RNA P... |
Eur J Med Chem 143: 1667-1676 (2018)
Article DOI: 10.1016/j.ejmech.2017.10.064
BindingDB Entry DOI: 10.7270/Q26M39GT |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50565002
(CHEMBL4778666)Show SMILES Cl.[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7]-1-c2ccc(Br)cc2[Se;v2]c2cc(Br)ccc-12 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 367 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Raclopride from human D2 receptor (unknown origin) expressed in HEK293 cell membranes |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50565001
(CHEMBL4797066)Show SMILES Cl.CN1CCCCC1CCN1c2c(Cl)cc(Cl)cc2Sc2cc(Cl)cc(Cl)c12 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 387 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cells |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM25981
(BMCL18324 Compound 17 | CHEMBL273158 | D3RKN_78 | ...)Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1 Show InChI InChI=1S/C21H21N3O2/c1-13-3-6-18(21-24-23-14(2)26-21)11-19(13)16-7-9-17(10-8-16)20(25)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50565001
(CHEMBL4797066)Show SMILES Cl.CN1CCCCC1CCN1c2c(Cl)cc(Cl)cc2Sc2cc(Cl)cc(Cl)c12 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 639 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Raclopride from human D2 receptor (unknown origin) expressed in HEK293 cell membranes |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50565000
(CHEMBL4791959) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 688 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Raclopride from human D2 receptor (unknown origin) expressed in HEK293 cell membranes |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50565000
(CHEMBL4791959) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 758 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cells |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50565001
(CHEMBL4797066)Show SMILES Cl.CN1CCCCC1CCN1c2c(Cl)cc(Cl)cc2Sc2cc(Cl)cc(Cl)c12 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50565001
(CHEMBL4797066)Show SMILES Cl.CN1CCCCC1CCN1c2c(Cl)cc(Cl)cc2Sc2cc(Cl)cc(Cl)c12 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ketanserin from human 5HT2A receptor expressed in CHO-K1 cells |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus) | BDBM50464499
(CHEMBL4288319)Show SMILES Fc1ccc(cc1F)C(=O)OC1=CS(=O)(=O)Nc2ccc(Oc3ccccc3Br)cc12 |t:12| Show InChI InChI=1S/C21H12BrF2NO5S/c22-15-3-1-2-4-19(15)29-13-6-8-18-14(10-13)20(11-31(27,28)25-18)30-21(26)12-5-7-16(23)17(24)9-12/h1-11,25H | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Perugia
Curated by ChEMBL
| Assay Description
Mixed type inhibition of DENV3 NS5 RdRp using increasing concentration of ss-RNA PolyC as template assessed as free enzyme after 1 hr in presence of ... |
Eur J Med Chem 143: 1667-1676 (2018)
Article DOI: 10.1016/j.ejmech.2017.10.064
BindingDB Entry DOI: 10.7270/Q26M39GT |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus) | BDBM50464499
(CHEMBL4288319)Show SMILES Fc1ccc(cc1F)C(=O)OC1=CS(=O)(=O)Nc2ccc(Oc3ccccc3Br)cc12 |t:12| Show InChI InChI=1S/C21H12BrF2NO5S/c22-15-3-1-2-4-19(15)29-13-6-8-18-14(10-13)20(11-31(27,28)25-18)30-21(26)12-5-7-16(23)17(24)9-12/h1-11,25H | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Perugia
Curated by ChEMBL
| Assay Description
Mixed type inhibition of DENV3 NS5 RdRp using increasing concentration of GTP as substrate assessed as enzyme-substrate complex after 1 hr in presenc... |
Eur J Med Chem 143: 1667-1676 (2018)
Article DOI: 10.1016/j.ejmech.2017.10.064
BindingDB Entry DOI: 10.7270/Q26M39GT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50565000
(CHEMBL4791959) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ketanserin from human 5HT2A receptor expressed in CHO-K1 cells |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50565002
(CHEMBL4778666)Show SMILES Cl.[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7]-1-c2ccc(Br)cc2[Se;v2]c2cc(Br)ccc-12 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ketanserin from human 5HT2A receptor expressed in CHO-K1 cells |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50565000
(CHEMBL4791959) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50565002
(CHEMBL4778666)Show SMILES Cl.[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7]-1-c2ccc(Br)cc2[Se;v2]c2cc(Br)ccc-12 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Dengue virus) | BDBM50464499
(CHEMBL4288319)Show SMILES Fc1ccc(cc1F)C(=O)OC1=CS(=O)(=O)Nc2ccc(Oc3ccccc3Br)cc12 |t:12| Show InChI InChI=1S/C21H12BrF2NO5S/c22-15-3-1-2-4-19(15)29-13-6-8-18-14(10-13)20(11-31(27,28)25-18)30-21(26)12-5-7-16(23)17(24)9-12/h1-11,25H | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Perugia
Curated by ChEMBL
| Assay Description
Mixed type inhibition of DENV3 NS5 RdRp using increasing concentration of ss-RNA PolyC as template assessed as enzyme-substrate complex after 1 hr in... |
Eur J Med Chem 143: 1667-1676 (2018)
Article DOI: 10.1016/j.ejmech.2017.10.064
BindingDB Entry DOI: 10.7270/Q26M39GT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50253154
(CHEMBL492265 | N-Cyclopropyl-4-methyl-3-(1-(2-meth...)Show SMILES Cc1ccccc1-c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C26H23N3O/c1-16-5-3-4-6-22(16)25-23-12-9-18(13-20(23)15-27-29-25)24-14-19(8-7-17(24)2)26(30)28-21-10-11-21/h3-9,12-15,21H,10-11H2,1-2H3,(H,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50509054
(CHEMBL1232751)Show SMILES Cc1ccc(cc1-c1cc2cnc(NC3CCOCC3)nc2n(C)c1=O)C(=O)NC1CC1 Show InChI InChI=1S/C24H27N5O3/c1-14-3-4-15(22(30)26-17-5-6-17)11-19(14)20-12-16-13-25-24(27-18-7-9-32-10-8-18)28-21(16)29(2)23(20)31/h3-4,11-13,17-18H,5-10H2,1-2H3,(H,26,30)(H,25,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50252739
(CHEMBL494072 | N-Cyclopropyl-4-methyl-3-(2-((2-(4-...)Show SMILES Cc1ccc(cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1)C(=O)NC1CC1 Show InChI InChI=1S/C25H29N5O2/c1-17-2-3-19(24(31)28-21-5-6-21)15-22(17)18-4-7-23-20(14-18)16-27-25(29-23)26-8-9-30-10-12-32-13-11-30/h2-4,7,14-16,21H,5-6,8-13H2,1H3,(H,28,31)(H,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50509055
(CHEMBL4575052)Show SMILES OC[C@@H](O)COc1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5ccccc5)c4)ccc3C(=O)c2c1 |r| Show InChI InChI=1S/C31H27FN2O5/c32-28-13-10-23(15-29(28)34-31(38)20-4-2-1-3-5-20)33-22-9-12-26-21(14-22)7-6-19-8-11-25(16-27(19)30(26)37)39-18-24(36)17-35/h1-5,8-16,24,33,35-36H,6-7,17-18H2,(H,34,38)/t24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50494296
(CHEMBL3086685)Show SMILES Fc1ccc(Nc2ccc3c(OCc4ccc(OCCN5CCOCC5)cc4C3=O)c2)cc1NC(=O)c1ccccc1 Show InChI InChI=1S/C33H30FN3O5/c34-29-11-8-24(18-30(29)36-33(39)22-4-2-1-3-5-22)35-25-7-10-27-31(19-25)42-21-23-6-9-26(20-28(23)32(27)38)41-17-14-37-12-15-40-16-13-37/h1-11,18-20,35H,12-17,21H2,(H,36,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50348310
(CHEMBL1800911 | US8772288, 1)Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C23H24N2O2/c1-14-4-5-16(21(26)24-17-7-8-17)12-18(14)15-6-9-19-20(13-15)25-22(27)23(19)10-2-3-11-23/h4-6,9,12-13,17H,2-3,7-8,10-11H2,1H3,(H,24,26)(H,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50313107
(4-chloro-N-cyclopropyl-3-(1-(2,6-difluorophenyl)-1...)Show SMILES Fc1cccc(F)c1-n1ncc2c(Nc3cc(ccc3Cl)C(=O)NC3CC3)nncc12 |(-6.01,-8.16,;-5.23,-9.48,;-5.98,-10.82,;-5.21,-12.15,;-3.66,-12.13,;-2.9,-10.79,;-1.37,-10.77,;-3.69,-9.47,;-2.93,-8.14,;-3.84,-6.9,;-2.95,-5.64,;-1.48,-6.1,;-.16,-5.33,;-.1,-3.79,;1.27,-3.07,;2.56,-3.9,;3.92,-3.18,;3.98,-1.64,;2.68,-.83,;1.32,-1.54,;.02,-.73,;5.22,-4.01,;5.16,-5.55,;6.59,-3.29,;7.89,-4.12,;8.6,-5.48,;9.43,-4.18,;1.18,-6.08,;1.19,-7.63,;-.14,-8.4,;-1.47,-7.64,)| Show InChI InChI=1S/C21H15ClF2N6O/c22-14-7-4-11(21(31)27-12-5-6-12)8-17(14)28-20-13-9-26-30(18(13)10-25-29-20)19-15(23)2-1-3-16(19)24/h1-4,7-10,12H,5-6H2,(H,27,31)(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM20657
(4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-m...)Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)N[C@@H](C)c4ccccc4)c(C)c23)c1 |r| Show InChI InChI=1S/C25H26N6O3/c1-15-10-11-19(24(32)30-34-4)12-21(15)29-23-22-16(2)20(13-31(22)27-14-26-23)25(33)28-17(3)18-8-6-5-7-9-18/h5-14,17H,1-4H3,(H,28,33)(H,30,32)(H,26,27,29)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50331625
(5-amino-N-(5-(isoxazol-3-ylcarbamoyl)-2-methylphen...)Show SMILES Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1)C(=O)Nc1ccon1 Show InChI InChI=1S/C21H18N6O3/c1-13-7-8-14(20(28)25-18-9-10-30-26-18)11-17(13)24-21(29)16-12-23-27(19(16)22)15-5-3-2-4-6-15/h2-12H,22H2,1H3,(H,24,29)(H,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM20649
(N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]am...)Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C Show InChI InChI=1S/C19H22N6O3/c1-5-20-19(27)14-9-25-16(12(14)3)17(21-10-22-25)23-15-8-13(7-6-11(15)2)18(26)24-28-4/h6-10H,5H2,1-4H3,(H,20,27)(H,24,26)(H,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50296645
(CHEMBL559401 | N-cyclopropyl-3-(1-(2,4-difluorophe...)Show SMILES Cc1ccc(cc1Nc1cc(=O)n(C)c2n(ncc12)-c1ccc(F)cc1F)C(=O)NC1CC1 Show InChI InChI=1S/C24H21F2N5O2/c1-13-3-4-14(23(33)28-16-6-7-16)9-19(13)29-20-11-22(32)30(2)24-17(20)12-27-31(24)21-8-5-15(25)10-18(21)26/h3-5,8-12,16,29H,6-7H2,1-2H3,(H,28,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50236473
((R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbam...)Show SMILES CC[C@@H](C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC Show InChI InChI=1S/C17H22N4O2S/c1-5-11(3)20-17-19-9-14(24-17)16(23)21-13-8-12(15(22)18-4)7-6-10(13)2/h6-9,11H,5H2,1-4H3,(H,18,22)(H,19,20)(H,21,23)/t11-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
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UniChem
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Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327020
(4-(5-(Isoxazol-3-ylcarbamoyl)-2-methylphenylamino)...)Show SMILES CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)Nc3ccon3)c2c1C Show InChI InChI=1S/C22H23N7O3/c1-4-8-23-22(31)16-11-29-19(14(16)3)20(24-12-25-29)26-17-10-15(6-5-13(17)2)21(30)27-18-7-9-32-28-18/h5-7,9-12H,4,8H2,1-3H3,(H,23,31)(H,24,25,26)(H,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50348880
(CHEMBL1807446)Show SMILES Cc1c(cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c12)C(=O)c1ccccc1 Show InChI InChI=1S/C25H23N5O2/c1-15-8-9-18(25(32)28-19-10-11-19)12-21(15)29-24-22-16(2)20(13-30(22)27-14-26-24)23(31)17-6-4-3-5-7-17/h3-9,12-14,19H,10-11H2,1-2H3,(H,28,32)(H,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50492393
(CHEMBL2401978)Show SMILES Cc1ccc(cc1NC(=O)c1cnc(s1)-c1ccccc1Cl)C(=O)NC1CC1 Show InChI InChI=1S/C21H18ClN3O2S/c1-12-6-7-13(19(26)24-14-8-9-14)10-17(12)25-20(27)18-11-23-21(28-18)15-4-2-3-5-16(15)22/h2-7,10-11,14H,8-9H2,1H3,(H,24,26)(H,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50509059
(CHEMBL4593539)Show SMILES CCNC(=O)NCc1ccccc1-c1cc(nc(NCCNC)n1)-c1cnc(NC(C)C)s1 Show InChI InChI=1S/C23H32N8OS/c1-5-25-22(32)27-13-16-8-6-7-9-17(16)18-12-19(31-21(30-18)26-11-10-24-4)20-14-28-23(33-20)29-15(2)3/h6-9,12,14-15,24H,5,10-11,13H2,1-4H3,(H,28,29)(H2,25,27,32)(H,26,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50509053
(CHEMBL4535046)Show SMILES CNC(=O)c1ccc(C)c(Nc2nncc3n(ncc23)-c2ccccc2)c1 Show InChI InChI=1S/C20H18N6O/c1-13-8-9-14(20(27)21-2)10-17(13)24-19-16-11-23-26(18(16)12-22-25-19)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,27)(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327009
(4-(5-(Cyclopropylcarbamoyl)-2-methylphenylamino)-5...)Show SMILES CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C Show InChI InChI=1S/C22H26N6O2/c1-4-9-23-22(30)17-11-28-19(14(17)3)20(24-12-25-28)27-18-10-15(6-5-13(18)2)21(29)26-16-7-8-16/h5-6,10-12,16H,4,7-9H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Genome polyprotein
(Dengue virus) | BDBM50464490
(CHEMBL4282493)Show SMILES COc1cc(C)c(cc1-c1ccc(s1)C#CCO)C(=O)NS(=O)(=O)c1cccc2cccnc12 Show InChI InChI=1S/C25H20N2O5S2/c1-16-14-21(32-2)20(22-11-10-18(33-22)8-5-13-28)15-19(16)25(29)27-34(30,31)23-9-3-6-17-7-4-12-26-24(17)23/h3-4,6-7,9-12,14-15,28H,13H2,1-2H3,(H,27,29) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Perugia
Curated by ChEMBL
| Assay Description
Inhibition of DENV3 full length NS5 RdRp assessed as decrease in dsRNA levels preincubated for 20 mins followed by ss-RNA and ATTO-CTP, ATP, GTP and ... |
Eur J Med Chem 143: 1667-1676 (2018)
Article DOI: 10.1016/j.ejmech.2017.10.064
BindingDB Entry DOI: 10.7270/Q26M39GT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50045333
(CHEBI:90705 | SB-203580)Show SMILES C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged P38 alpha MAPK expressed in baculovirus infected Sf9 insect cells using p38 peptide... |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50398148
(CHEMBL2177219)Show SMILES Fc1ccc(Nc2ccc3c(CCCCC3=O)c2)cc1NC(=O)c1ccccc1 Show InChI InChI=1S/C24H21FN2O2/c25-21-13-11-19(15-22(21)27-24(29)16-6-2-1-3-7-16)26-18-10-12-20-17(14-18)8-4-5-9-23(20)28/h1-3,6-7,10-15,26H,4-5,8-9H2,(H,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha MAPK (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111624
BindingDB Entry DOI: 10.7270/Q2J38WW2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Calcium-activated potassium channel subunit alpha-1
(Rattus norvegicus) | BDBM50412339
(CHEMBL496460)Show InChI InChI=1S/C16H11BrF3NO2S/c1-23-12-4-3-9(17)7-10(12)14-15(22)21-11-6-8(16(18,19)20)2-5-13(11)24-14/h2-7,14H,1H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Pisa
Curated by ChEMBL
| Assay Description
Activation of large-conductance calcium-activated potassium channel-mediated vasorelaxation in endothelium-denuded normotensive Wistar rat thoracic a... |
J Med Chem 51: 5085-92 (2008)
Article DOI: 10.1021/jm701605f
BindingDB Entry DOI: 10.7270/Q2R49S16 |
More data for this
Ligand-Target Pair | |
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