Found 39 hits with Last Name = 'figuera-losada' and Initial = 'm' 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 10
(Homo sapiens (Human)) | BDBM50303639
(CHEMBL571626 | N-(4-(2-(4-(1H-1,2,3-Triazol-1-yl)p...)Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)-n2ccnn2)n1 Show InChI InChI=1S/C19H17N7O2S/c1-29(27,28)24-16-4-2-14(3-5-16)18-10-11-20-19(23-18)22-15-6-8-17(9-7-15)26-13-12-21-25-26/h2-13,24H,1H3,(H,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
and Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 by time resolved fluorescence assay |
J Med Chem 53: 419-31 (2010)
Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50303638
(4-(4-(4-(Methylsulfonamido)phenyl)pyrimidin-2-ylam...)Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C17H17N5O4S2/c1-27(23,24)22-14-4-2-12(3-5-14)16-10-11-19-17(21-16)20-13-6-8-15(9-7-13)28(18,25)26/h2-11,22H,1H3,(H2,18,25,26)(H,19,20,21) | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
and Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 by time resolved fluorescence assay |
J Med Chem 53: 419-31 (2010)
Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM103909
(JNK3 inhibitor 6 | US8562945, 242)Show SMILES NOOSc1ccc(CC[N@@]23CC(=O)O[Re]2[N]2=C(C3)C=CC=C2)cc1 |r,c:17,21,23| Show InChI InChI=1S/C16H19N3O4S.Re/c17-22-23-24-15-6-4-13(5-7-15)8-10-19(12-16(20)21)11-14-3-1-2-9-18-14;/h1-7,9H,8,10-12,17H2,(H,20,21);/q;+1/p-1 | 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 | 11.6 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| |
ACS Chem Biol 8: 1747-54 (2013)
Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50303639
(CHEMBL571626 | N-(4-(2-(4-(1H-1,2,3-Triazol-1-yl)p...)Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)-n2ccnn2)n1 Show InChI InChI=1S/C19H17N7O2S/c1-29(27,28)24-16-4-2-14(3-5-16)18-10-11-20-19(23-18)22-15-6-8-17(9-7-15)26-13-12-21-25-26/h2-13,24H,1H3,(H,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
and Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 by time resolved fluorescence assay |
J Med Chem 53: 419-31 (2010)
Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50303638
(4-(4-(4-(Methylsulfonamido)phenyl)pyrimidin-2-ylam...)Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C17H17N5O4S2/c1-27(23,24)22-14-4-2-12(3-5-14)16-10-11-19-17(21-16)20-13-6-8-15(9-7-13)28(18,25)26/h2-11,22H,1H3,(H2,18,25,26)(H,19,20,21) | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
and Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 by time resolved fluorescence assay |
J Med Chem 53: 419-31 (2010)
Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM103904
(JNK3 inhibitor 1 | US8563583, A-33)Show SMILES COc1cc(ccc1OCC(C)(C)O)-n1ccc(CNc2ccc(Cl)cc2)cc1=O Show InChI InChI=1S/C23H25ClN2O4/c1-23(2,28)15-30-20-9-8-19(13-21(20)29-3)26-11-10-16(12-22(26)27)14-25-18-6-4-17(24)5-7-18/h4-13,25,28H,14-15H2,1-3H3 | 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 | 37.8 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| |
ACS Chem Biol 8: 1747-54 (2013)
Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50303644
(3-Morpholino-5-(2-(4-(3-(pyridin-2-yl)-1H-1,2,4-tr...)Show SMILES N#Cc1cc(cc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)-c2ccccn2)n1)N1CCOCC1 Show InChI InChI=1S/C28H23N9O/c29-18-20-15-21(17-24(16-20)36-11-13-38-14-12-36)25-8-10-31-28(34-25)33-22-4-6-23(7-5-22)37-19-32-27(35-37)26-3-1-2-9-30-26/h1-10,15-17,19H,11-14H2,(H,31,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
and Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 by time resolved fluorescence assay |
J Med Chem 53: 419-31 (2010)
Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50303642
(3-(2-(4-(2-Methyl-2H-tetrazol-5-yl)phenylamino)pyr...)Show SMILES Cn1nnc(n1)-c1ccc(Nc2nccc(n2)-c2cc(cc(c2)N2CCOCC2)C#N)cc1 Show InChI InChI=1S/C23H21N9O/c1-31-29-22(28-30-31)17-2-4-19(5-3-17)26-23-25-7-6-21(27-23)18-12-16(15-24)13-20(14-18)32-8-10-33-11-9-32/h2-7,12-14H,8-11H2,1H3,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
and Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 by time resolved fluorescence assay |
J Med Chem 53: 419-31 (2010)
Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50303641
(3-(2-(4-(3-Methyl-1H-1,2,4-triazol-1-yl)phenylamin...)Show SMILES Cc1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cc(cc(c2)N2CCOCC2)C#N)cc1 Show InChI InChI=1S/C24H22N8O/c1-17-27-16-32(30-17)21-4-2-20(3-5-21)28-24-26-7-6-23(29-24)19-12-18(15-25)13-22(14-19)31-8-10-33-11-9-31/h2-7,12-14,16H,8-11H2,1H3,(H,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
and Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 by time resolved fluorescence assay |
J Med Chem 53: 419-31 (2010)
Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM103908
(JNK3 inhibitor 5 | US8562945, 241)Show SMILES NOOSc1ccc(CC[N]23CC4=CC=CC=[N]4[Re+]2[N]2=C(C3)C=CC=C2)cc1 |c:14,16,21,25,27,t:12| Show InChI InChI=1S/C20H22N4O2S.Re/c21-25-26-27-20-9-7-17(8-10-20)11-14-24(15-18-5-1-3-12-22-18)16-19-6-2-4-13-23-19;/h1-10,12-13H,11,14-16,21H2;/q;+1 | 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 | 63.4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| |
ACS Chem Biol 8: 1747-54 (2013)
Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM16018
(14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...)Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| |
ACS Chem Biol 8: 1747-54 (2013)
Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50303641
(3-(2-(4-(3-Methyl-1H-1,2,4-triazol-1-yl)phenylamin...)Show SMILES Cc1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cc(cc(c2)N2CCOCC2)C#N)cc1 Show InChI InChI=1S/C24H22N8O/c1-17-27-16-32(30-17)21-4-2-20(3-5-21)28-24-26-7-6-23(29-24)19-12-18(15-25)13-22(14-19)31-8-10-33-11-9-31/h2-7,12-14,16H,8-11H2,1H3,(H,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
and Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 by time resolved fluorescence assay |
J Med Chem 53: 419-31 (2010)
Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50303644
(3-Morpholino-5-(2-(4-(3-(pyridin-2-yl)-1H-1,2,4-tr...)Show SMILES N#Cc1cc(cc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)-c2ccccn2)n1)N1CCOCC1 Show InChI InChI=1S/C28H23N9O/c29-18-20-15-21(17-24(16-20)36-11-13-38-14-12-36)25-8-10-31-28(34-25)33-22-4-6-23(7-5-22)37-19-32-27(35-37)26-3-1-2-9-30-26/h1-10,15-17,19H,11-14H2,(H,31,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
and Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 by time resolved fluorescence assay |
J Med Chem 53: 419-31 (2010)
Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50303643
(4-(3-Morpholinophenyl)-N-(4-(3-(pyridin-3-yl)-1H-1...)Show SMILES C1CN(CCO1)c1cccc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)-c2cccnc2)n1 Show InChI InChI=1S/C27H24N8O/c1-3-20(17-24(5-1)34-13-15-36-16-14-34)25-10-12-29-27(32-25)31-22-6-8-23(9-7-22)35-19-30-26(33-35)21-4-2-11-28-18-21/h1-12,17-19H,13-16H2,(H,29,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
and Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 by time resolved fluorescence assay |
J Med Chem 53: 419-31 (2010)
Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50303643
(4-(3-Morpholinophenyl)-N-(4-(3-(pyridin-3-yl)-1H-1...)Show SMILES C1CN(CCO1)c1cccc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)-c2cccnc2)n1 Show InChI InChI=1S/C27H24N8O/c1-3-20(17-24(5-1)34-13-15-36-16-14-34)25-10-12-29-27(32-25)31-22-6-8-23(9-7-22)35-19-30-26(33-35)21-4-2-11-28-18-21/h1-12,17-19H,13-16H2,(H,29,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
and Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 by time resolved fluorescence assay |
J Med Chem 53: 419-31 (2010)
Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50303646
(4-(3-Fluoro-5-morpholinophenyl)-N-(4-(3-morpholino...)Show SMILES Fc1cc(cc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)N2CCOCC2)n1)N1CCOCC1 Show InChI InChI=1S/C26H27FN8O2/c27-20-15-19(16-23(17-20)33-7-11-36-12-8-33)24-5-6-28-25(31-24)30-21-1-3-22(4-2-21)35-18-29-26(32-35)34-9-13-37-14-10-34/h1-6,15-18H,7-14H2,(H,28,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| MMDB
Article
PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
and Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 by time resolved fluorescence assay |
J Med Chem 53: 419-31 (2010)
Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50303645
(4-(3-Fluoro-5-morpholinophenyl)-N-(4-(3-(4-methylp...)Show SMILES CN1CCN(CC1)c1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cc(F)cc(c2)N2CCOCC2)cc1 Show InChI InChI=1S/C27H30FN9O/c1-34-8-10-36(11-9-34)27-30-19-37(33-27)23-4-2-22(3-5-23)31-26-29-7-6-25(32-26)20-16-21(28)18-24(17-20)35-12-14-38-15-13-35/h2-7,16-19H,8-15H2,1H3,(H,29,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
and Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 by time resolved fluorescence assay |
J Med Chem 53: 419-31 (2010)
Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM103909
(JNK3 inhibitor 6 | US8562945, 242)Show SMILES NOOSc1ccc(CC[N@@]23CC(=O)O[Re]2[N]2=C(C3)C=CC=C2)cc1 |r,c:17,21,23| Show InChI InChI=1S/C16H19N3O4S.Re/c17-22-23-24-15-6-4-13(5-7-15)8-10-19(12-16(20)21)11-14-3-1-2-9-18-14;/h1-7,9H,8,10-12,17H2,(H,20,21);/q;+1/p-1 | 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 | 109 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| |
ACS Chem Biol 8: 1747-54 (2013)
Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50303640
(CHEMBL585725 | N-(4-(3-Methyl-1H-1,2,4-triazol-1-y...)Show SMILES Cc1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cccc(c2)N2CCOCC2)cc1 Show InChI InChI=1S/C23H23N7O/c1-17-25-16-30(28-17)20-7-5-19(6-8-20)26-23-24-10-9-22(27-23)18-3-2-4-21(15-18)29-11-13-31-14-12-29/h2-10,15-16H,11-14H2,1H3,(H,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a | n/a |
and Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 by time resolved fluorescence assay |
J Med Chem 53: 419-31 (2010)
Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50169959
(2-(benzo[d]thiazol-2(3H)-ylidene)-2-(2-(2-(pyridin...)Show InChI InChI=1S/C20H16N6S/c21-12-15(19-25-17-5-1-2-6-18(17)27-19)16-8-11-24-20(26-16)23-10-7-14-4-3-9-22-13-14/h1-6,8-9,11,13,15H,7,10H2,(H,23,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
and Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 |
J Med Chem 53: 419-31 (2010)
Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50303637
(CHEMBL572283 | N-(4-(1H-1,2,3-Triazol-1-yl)phenyl)...)Show SMILES C1CN(CCO1)c1cccc(c1)-c1ccnc(Nc2ccc(cc2)-n2ccnn2)n1 Show InChI InChI=1S/C22H21N7O/c1-2-17(16-20(3-1)28-12-14-30-15-13-28)21-8-9-23-22(26-21)25-18-4-6-19(7-5-18)29-11-10-24-27-29/h1-11,16H,12-15H2,(H,23,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
and Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 by time resolved fluorescence assay |
J Med Chem 53: 419-31 (2010)
Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM103910
(JNK3 inhibitor 7 | US8562945, 243)Show SMILES CN1C=C[N]2=C1C[N]1(CCc3ccc(SOON)cc3)CC3=[N](C=CN3C)[Re+]21 |c:2,4,25,t:23| Show InChI InChI=1S/C18H24N6O2S.Re/c1-22-11-8-20-17(22)13-24(14-18-21-9-12-23(18)2)10-7-15-3-5-16(6-4-15)27-26-25-19;/h3-6,8-9,11-12H,7,10,13-14,19H2,1-2H3;/q;+1 | 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 | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| |
ACS Chem Biol 8: 1747-54 (2013)
Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50303645
(4-(3-Fluoro-5-morpholinophenyl)-N-(4-(3-(4-methylp...)Show SMILES CN1CCN(CC1)c1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cc(F)cc(c2)N2CCOCC2)cc1 Show InChI InChI=1S/C27H30FN9O/c1-34-8-10-36(11-9-34)27-30-19-37(33-27)23-4-2-22(3-5-23)31-26-29-7-6-25(32-26)20-16-21(28)18-24(17-20)35-12-14-38-15-13-35/h2-7,16-19H,8-15H2,1H3,(H,29,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 133 | n/a | n/a | n/a | n/a | n/a | n/a |
and Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 by time resolved fluorescence assay |
J Med Chem 53: 419-31 (2010)
Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM103905
(JNK3 inhibitor 2 | US8563583, C-1)Show SMILES COc1cc(ccc1OCCO)-n1ccc(cc1=O)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C21H18F3NO5/c1-28-19-13-16(4-7-18(19)29-11-10-26)25-9-8-15(12-20(25)27)14-2-5-17(6-3-14)30-21(22,23)24/h2-9,12-13,26H,10-11H2,1H3 | 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 | 136 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| |
ACS Chem Biol 8: 1747-54 (2013)
Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50303642
(3-(2-(4-(2-Methyl-2H-tetrazol-5-yl)phenylamino)pyr...)Show SMILES Cn1nnc(n1)-c1ccc(Nc2nccc(n2)-c2cc(cc(c2)N2CCOCC2)C#N)cc1 Show InChI InChI=1S/C23H21N9O/c1-31-29-22(28-30-31)17-2-4-19(5-3-17)26-23-25-7-6-21(27-23)18-12-16(15-24)13-20(14-18)32-8-10-33-11-9-32/h2-7,12-14H,8-11H2,1H3,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
and Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 by time resolved fluorescence assay |
J Med Chem 53: 419-31 (2010)
Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM103907
(JNK3 inhibitor 4 | US8563583, D-4)Show SMILES COc1cc(ccc1OCC(C)(C)O)-n1ccc(SCc2ccc(Cl)cc2)cc1=O Show InChI InChI=1S/C23H24ClNO4S/c1-23(2,27)15-29-20-9-8-18(12-21(20)28-3)25-11-10-19(13-22(25)26)30-14-16-4-6-17(24)7-5-16/h4-13,27H,14-15H2,1-3H3 | 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 | 147 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| |
ACS Chem Biol 8: 1747-54 (2013)
Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50303646
(4-(3-Fluoro-5-morpholinophenyl)-N-(4-(3-morpholino...)Show SMILES Fc1cc(cc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)N2CCOCC2)n1)N1CCOCC1 Show InChI InChI=1S/C26H27FN8O2/c27-20-15-19(16-23(17-20)33-7-11-36-12-8-33)24-5-6-28-25(31-24)30-21-1-3-22(4-2-21)35-18-29-26(32-35)34-9-13-37-14-10-34/h1-6,15-18H,7-14H2,(H,28,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| MMDB
Article
PubMed
| n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a | n/a |
and Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 by time resolved fluorescence assay |
J Med Chem 53: 419-31 (2010)
Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM103910
(JNK3 inhibitor 7 | US8562945, 243)Show SMILES CN1C=C[N]2=C1C[N]1(CCc3ccc(SOON)cc3)CC3=[N](C=CN3C)[Re+]21 |c:2,4,25,t:23| Show InChI InChI=1S/C18H24N6O2S.Re/c1-22-11-8-20-17(22)13-24(14-18-21-9-12-23(18)2)10-7-15-3-5-16(6-4-15)27-26-25-19;/h3-6,8-9,11-12H,7,10,13-14,19H2,1-2H3;/q;+1 | 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 | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| |
ACS Chem Biol 8: 1747-54 (2013)
Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM103906
(JNK3 inhibitor 3 | US8563583, B-2)Show SMILES COc1cc(ccc1OCC(C)(C)O)-n1ccc(cc1=O)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H22F3NO4/c1-22(2,29)14-31-19-9-8-18(13-20(19)30-3)27-11-10-16(12-21(27)28)15-4-6-17(7-5-15)23(24,25)26/h4-13,29H,14H2,1-3H3 | 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 | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| |
ACS Chem Biol 8: 1747-54 (2013)
Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM103908
(JNK3 inhibitor 5 | US8562945, 241)Show SMILES NOOSc1ccc(CC[N]23CC4=CC=CC=[N]4[Re+]2[N]2=C(C3)C=CC=C2)cc1 |c:14,16,21,25,27,t:12| Show InChI InChI=1S/C20H22N4O2S.Re/c21-25-26-27-20-9-7-17(8-10-20)11-14-24(15-18-5-1-3-12-22-18)16-19-6-2-4-13-23-19;/h1-10,12-13H,11,14-16,21H2;/q;+1 | 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 | 164 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| |
ACS Chem Biol 8: 1747-54 (2013)
Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM16018
(14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...)Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| |
ACS Chem Biol 8: 1747-54 (2013)
Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50303647
(CHEMBL572282 | N-(4-(1H-1,2,4-Triazol-1-yl)phenyl)...)Show InChI InChI=1S/C18H14N6/c1-2-4-14(5-3-1)17-10-11-20-18(23-17)22-15-6-8-16(9-7-15)24-13-19-12-21-24/h1-13H,(H,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 297 | n/a | n/a | n/a | n/a | n/a | n/a |
and Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 by time resolved fluorescence assay |
J Med Chem 53: 419-31 (2010)
Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM103906
(JNK3 inhibitor 3 | US8563583, B-2)Show SMILES COc1cc(ccc1OCC(C)(C)O)-n1ccc(cc1=O)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H22F3NO4/c1-22(2,29)14-31-19-9-8-18(13-20(19)30-3)27-11-10-16(12-21(27)28)15-4-6-17(7-5-15)23(24,25)26/h4-13,29H,14H2,1-3H3 | 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 | 318 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| |
ACS Chem Biol 8: 1747-54 (2013)
Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50303637
(CHEMBL572283 | N-(4-(1H-1,2,3-Triazol-1-yl)phenyl)...)Show SMILES C1CN(CCO1)c1cccc(c1)-c1ccnc(Nc2ccc(cc2)-n2ccnn2)n1 Show InChI InChI=1S/C22H21N7O/c1-2-17(16-20(3-1)28-12-14-30-15-13-28)21-8-9-23-22(26-21)25-18-4-6-19(7-5-18)29-11-10-24-27-29/h1-11,16H,12-15H2,(H,23,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 365 | n/a | n/a | n/a | n/a | n/a | n/a |
and Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 by time resolved fluorescence assay |
J Med Chem 53: 419-31 (2010)
Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50303640
(CHEMBL585725 | N-(4-(3-Methyl-1H-1,2,4-triazol-1-y...)Show SMILES Cc1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cccc(c2)N2CCOCC2)cc1 Show InChI InChI=1S/C23H23N7O/c1-17-25-16-30(28-17)20-7-5-19(6-8-20)26-23-24-10-9-22(27-23)18-3-2-4-21(15-18)29-11-13-31-14-12-29/h2-10,15-16H,11-14H2,1H3,(H,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
and Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 by time resolved fluorescence assay |
J Med Chem 53: 419-31 (2010)
Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50303636
(4-(4-Phenylpyrimidin-2-ylamino)benzamide | CHEMBL5...)Show InChI InChI=1S/C17H14N4O/c18-16(22)13-6-8-14(9-7-13)20-17-19-11-10-15(21-17)12-4-2-1-3-5-12/h1-11H,(H2,18,22)(H,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 491 | n/a | n/a | n/a | n/a | n/a | n/a |
and Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 by time resolved fluorescence assay |
J Med Chem 53: 419-31 (2010)
Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50303636
(4-(4-Phenylpyrimidin-2-ylamino)benzamide | CHEMBL5...)Show InChI InChI=1S/C17H14N4O/c18-16(22)13-6-8-14(9-7-13)20-17-19-11-10-15(21-17)12-4-2-1-3-5-12/h1-11H,(H2,18,22)(H,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 535 | n/a | n/a | n/a | n/a | n/a | n/a |
and Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 by time resolved fluorescence assay |
J Med Chem 53: 419-31 (2010)
Article DOI: 10.1021/jm901351f
BindingDB Entry DOI: 10.7270/Q23T9J6J |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM103907
(JNK3 inhibitor 4 | US8563583, D-4)Show SMILES COc1cc(ccc1OCC(C)(C)O)-n1ccc(SCc2ccc(Cl)cc2)cc1=O Show InChI InChI=1S/C23H24ClNO4S/c1-23(2,27)15-29-20-9-8-18(12-21(20)28-3)25-11-10-19(13-22(25)26)30-14-16-4-6-17(24)7-5-16/h4-13,27H,14-15H2,1-3H3 | 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 | 685 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| |
ACS Chem Biol 8: 1747-54 (2013)
Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM103911
(JNK3 inhibitor 8 | US8562945, 246)Show SMILES NOOSc1ccc(NC(=S)NCCCCCCCC[N]23CC4=CC=CC=[N]4[Re+]2[N]2=C(C3)C=CC=C2)cc1 |c:24,26,31,35,37,t:22| Show InChI InChI=1S/C27H36N6O2S2.Re/c28-34-35-37-26-15-13-23(14-16-26)32-27(36)31-19-7-3-1-2-4-10-20-33(21-24-11-5-8-17-29-24)22-25-12-6-9-18-30-25;/h5-6,8-9,11-18H,1-4,7,10,19-22,28H2,(H2,31,32,36);/q;+1 | 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 | 3.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
| |
ACS Chem Biol 8: 1747-54 (2013)
Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN |
More data for this
Ligand-Target Pair | |
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