Found 259 hits with Last Name = 'ruiz' and Initial = 'ch' 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)) | BDBM50495031
(CHEMBL3099975)Show SMILES Oc1onc(c1-c1ccc(F)cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1 Show InChI InChI=1S/C24H21FN4O3/c25-18-3-1-16(2-4-18)22-23(28-32-24(22)30)17-9-10-26-21(15-17)27-19-5-7-20(8-6-19)29-11-13-31-14-12-29/h1-10,15,30H,11-14H2,(H,26,27) | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 (39 to 402 amino acids) (unknown origin) expressed in Escherichia coli BL21(DE3) using biotinylated ATF2 as substrate after 15 min... |
Bioorg Med Chem Lett 24: 161-4 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.052
BindingDB Entry DOI: 10.7270/Q2XG9V3X |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50495026
(CHEMBL3099962)Show SMILES Fc1ccc(cc1)-c1n[nH]cc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1 Show InChI InChI=1S/C24H22FN5O/c25-19-3-1-17(2-4-19)24-22(16-27-29-24)18-9-10-26-23(15-18)28-20-5-7-21(8-6-20)30-11-13-31-14-12-30/h1-10,15-16H,11-14H2,(H,26,28)(H,27,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of p38 (unknown origin) |
Bioorg Med Chem Lett 24: 161-4 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.052
BindingDB Entry DOI: 10.7270/Q2XG9V3X |
More data for this
Ligand-Target Pair | |
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 8
(Homo sapiens (Human)) | BDBM50358497
(CHEMBL1923217)Show InChI InChI=1S/C18H15ClN4O3/c1-25-11-6-8-12(9-7-11)26-18-21-10-14(19)17(23-18)22-15-5-3-2-4-13(15)16(20)24/h2-10H,1H3,(H2,20,24)(H,21,22,23) | 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 |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 using biotinylated-ATF2 as substrate by HTRF assay |
Bioorg Med Chem Lett 21: 7072-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.090
BindingDB Entry DOI: 10.7270/Q2V69K0W |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50358497
(CHEMBL1923217)Show InChI InChI=1S/C18H15ClN4O3/c1-25-11-6-8-12(9-7-11)26-18-21-10-14(19)17(23-18)22-15-5-3-2-4-13(15)16(20)24/h2-10H,1H3,(H2,20,24)(H,21,22,23) | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 using biotinylated-ATF2 as substrate by HTRF assay |
Bioorg Med Chem Lett 21: 7072-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.090
BindingDB Entry DOI: 10.7270/Q2V69K0W |
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)) | BDBM50495026
(CHEMBL3099962)Show SMILES Fc1ccc(cc1)-c1n[nH]cc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1 Show InChI InChI=1S/C24H22FN5O/c25-19-3-1-17(2-4-19)24-22(16-27-29-24)18-9-10-26-23(15-18)28-20-5-7-21(8-6-20)30-11-13-31-14-12-30/h1-10,15-16H,11-14H2,(H,26,28)(H,27,29) | 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 |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 (39 to 402 amino acids) (unknown origin) expressed in Escherichia coli BL21(DE3) using biotinylated ATF2 as substrate after 15 min... |
Bioorg Med Chem Lett 24: 161-4 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.052
BindingDB Entry DOI: 10.7270/Q2XG9V3X |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50342502
(CHEMBL1771718 | N-(4-(3,5-dimethyl-1H-1,2,4-triazo...)Show SMILES Cc1nc(C)n(n1)-c1ccc(Nc2cc(ccn2)-c2nn(C)cc2-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H22FN7/c1-16-28-17(2)33(30-16)22-10-8-21(9-11-22)29-24-14-19(12-13-27-24)25-23(15-32(3)31-25)18-4-6-20(26)7-5-18/h4-15H,1-3H3,(H,27,29) | 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 |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 assessed as formation of phospho-Thr71-ATF-2 from biotinylated-ATF2 by HTRF assay |
Bioorg Med Chem Lett 21: 2732-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.104
BindingDB Entry DOI: 10.7270/Q2WM1DQN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50358527
(CHEMBL1923187)Show InChI InChI=1S/C19H16ClN3O3/c1-25-12-6-8-13(9-7-12)26-18-10-17(15(20)11-22-18)23-16-5-3-2-4-14(16)19(21)24/h2-11H,1H3,(H2,21,24)(H,22,23) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 using biotinylated-ATF2 as substrate by HTRF assay |
Bioorg Med Chem Lett 21: 7072-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.090
BindingDB Entry DOI: 10.7270/Q2V69K0W |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50364654
(CHEMBL1951444)Show SMILES O=C(Nc1ccc(cc1)-c1ccc(cc1)C#N)Nc1ccc(cc1)-c1ccnc2nc[nH]c12 Show InChI InChI=1S/C26H18N6O/c27-15-17-1-3-18(4-2-17)19-5-9-21(10-6-19)31-26(33)32-22-11-7-20(8-12-22)23-13-14-28-25-24(23)29-16-30-25/h1-14,16H,(H,28,29,30)(H2,31,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP3A4 in supersomes using midazolam as substrate after 5 mins by LC-MS/MS analysis |
Bioorg Med Chem Lett 22: 1611-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.125
BindingDB Entry DOI: 10.7270/Q2T72HXJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50495024
(CHEMBL3100085)Show SMILES Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2-c2cn[nH]c2C)cc1 Show InChI InChI=1S/C21H18N8O/c1-13-18(10-24-26-13)19-11-30-28-21(19)15-7-8-22-20(9-15)25-16-3-5-17(6-4-16)29-12-23-14(2)27-29/h3-12H,1-2H3,(H,22,25)(H,24,26) | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 (unknown origin) |
Bioorg Med Chem Lett 24: 161-4 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.052
BindingDB Entry DOI: 10.7270/Q2XG9V3X |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50358527
(CHEMBL1923187)Show InChI InChI=1S/C19H16ClN3O3/c1-25-12-6-8-13(9-7-12)26-18-10-17(15(20)11-22-18)23-16-5-3-2-4-14(16)19(21)24/h2-11H,1H3,(H2,21,24)(H,22,23) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 using biotinylated-ATF2 as substrate by HTRF assay |
Bioorg Med Chem Lett 21: 7072-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.090
BindingDB Entry DOI: 10.7270/Q2V69K0W |
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 10
(Homo sapiens (Human)) | BDBM50495024
(CHEMBL3100085)Show SMILES Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2-c2cn[nH]c2C)cc1 Show InChI InChI=1S/C21H18N8O/c1-13-18(10-24-26-13)19-11-30-28-21(19)15-7-8-22-20(9-15)25-16-3-5-17(6-4-16)29-12-23-14(2)27-29/h3-12H,1-2H3,(H,22,25)(H,24,26) | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 (39 to 402 amino acids) (unknown origin) expressed in Escherichia coli BL21(DE3) using biotinylated ATF2 as substrate after 15 min... |
Bioorg Med Chem Lett 24: 161-4 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.052
BindingDB Entry DOI: 10.7270/Q2XG9V3X |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50358502
(CHEMBL1923211)Show SMILES COc1ccc(Oc2cc(Nc3cc(OC)ccc3C(N)=O)c(cn2)C(F)(F)F)cc1 Show InChI InChI=1S/C21H18F3N3O4/c1-29-12-3-5-13(6-4-12)31-19-10-18(16(11-26-19)21(22,23)24)27-17-9-14(30-2)7-8-15(17)20(25)28/h3-11H,1-2H3,(H2,25,28)(H,26,27) | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 using biotinylated-ATF2 as substrate by HTRF assay |
Bioorg Med Chem Lett 21: 7072-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.090
BindingDB Entry DOI: 10.7270/Q2V69K0W |
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)) | BDBM50495030
(CHEMBL3099977)Show SMILES Cn1cc(cn1)-c1conc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1 Show InChI InChI=1S/C22H22N6O2/c1-27-14-17(13-24-27)20-15-30-26-22(20)16-6-7-23-21(12-16)25-18-2-4-19(5-3-18)28-8-10-29-11-9-28/h2-7,12-15H,8-11H2,1H3,(H,23,25) | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 (39 to 402 amino acids) (unknown origin) expressed in Escherichia coli BL21(DE3) using biotinylated ATF2 as substrate after 15 min... |
Bioorg Med Chem Lett 24: 161-4 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.052
BindingDB Entry DOI: 10.7270/Q2XG9V3X |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50495031
(CHEMBL3099975)Show SMILES Oc1onc(c1-c1ccc(F)cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1 Show InChI InChI=1S/C24H21FN4O3/c25-18-3-1-16(2-4-18)22-23(28-32-24(22)30)17-9-10-26-21(15-17)27-19-5-7-20(8-6-19)29-11-13-31-14-12-29/h1-10,15,30H,11-14H2,(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of p38 (unknown origin) |
Bioorg Med Chem Lett 24: 161-4 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.052
BindingDB Entry DOI: 10.7270/Q2XG9V3X |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50358520
(CHEMBL1923194)Show SMILES CC(C)(C)Oc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)cc1 Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,3)32-15-10-8-14(9-11-15)31-20-12-19(17(13-28-20)23(24,25)26)29-18-7-5-4-6-16(18)21(27)30/h4-13H,1-3H3,(H2,27,30)(H,28,29) | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 using biotinylated-ATF2 as substrate by HTRF assay |
Bioorg Med Chem Lett 21: 7072-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.090
BindingDB Entry DOI: 10.7270/Q2V69K0W |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50495036
(CHEMBL3099963)Show SMILES Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2-c2cn[nH]c2)cc1 Show InChI InChI=1S/C20H16N8O/c1-13-22-12-28(26-13)17-4-2-16(3-5-17)25-19-8-14(6-7-21-19)20-18(11-29-27-20)15-9-23-24-10-15/h2-12H,1H3,(H,21,25)(H,23,24) | 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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 (39 to 402 amino acids) (unknown origin) expressed in Escherichia coli BL21(DE3) using biotinylated ATF2 as substrate after 15 min... |
Bioorg Med Chem Lett 24: 161-4 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.052
BindingDB Entry DOI: 10.7270/Q2XG9V3X |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50495033
(CHEMBL3099965)Show SMILES Fc1ccc(cc1)-c1conc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1 Show InChI InChI=1S/C24H21FN4O2/c25-19-3-1-17(2-4-19)22-16-31-28-24(22)18-9-10-26-23(15-18)27-20-5-7-21(8-6-20)29-11-13-30-14-12-29/h1-10,15-16H,11-14H2,(H,26,27) | 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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 (39 to 402 amino acids) (unknown origin) expressed in Escherichia coli BL21(DE3) using biotinylated ATF2 as substrate after 15 min... |
Bioorg Med Chem Lett 24: 161-4 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.052
BindingDB Entry DOI: 10.7270/Q2XG9V3X |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50364636
(CHEMBL1951331)Show SMILES O=C(Nc1ccc(cc1)-c1ccccc1)Nc1ccc(cc1)-c1ccnc2nc[nH]c12 Show InChI InChI=1S/C25H19N5O/c31-25(29-20-10-6-18(7-11-20)17-4-2-1-3-5-17)30-21-12-8-19(9-13-21)22-14-15-26-24-23(22)27-16-28-24/h1-16H,(H,26,27,28)(H2,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP3A4 in supersomes using midazolam as substrate after 5 mins by LC-MS/MS analysis |
Bioorg Med Chem Lett 22: 1611-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.125
BindingDB Entry DOI: 10.7270/Q2T72HXJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50358528
(CHEMBL1923186)Show InChI InChI=1S/C19H16FN3O3/c1-25-12-6-8-13(9-7-12)26-18-10-17(15(20)11-22-18)23-16-5-3-2-4-14(16)19(21)24/h2-11H,1H3,(H2,21,24)(H,22,23) | 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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 using biotinylated-ATF2 as substrate by HTRF assay |
Bioorg Med Chem Lett 21: 7072-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.090
BindingDB Entry DOI: 10.7270/Q2V69K0W |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50495036
(CHEMBL3099963)Show SMILES Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2-c2cn[nH]c2)cc1 Show InChI InChI=1S/C20H16N8O/c1-13-22-12-28(26-13)17-4-2-16(3-5-17)25-19-8-14(6-7-21-19)20-18(11-29-27-20)15-9-23-24-10-15/h2-12H,1H3,(H,21,25)(H,23,24) | 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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 (unknown origin) |
Bioorg Med Chem Lett 24: 161-4 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.052
BindingDB Entry DOI: 10.7270/Q2XG9V3X |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50358520
(CHEMBL1923194)Show SMILES CC(C)(C)Oc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)cc1 Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,3)32-15-10-8-14(9-11-15)31-20-12-19(17(13-28-20)23(24,25)26)29-18-7-5-4-6-16(18)21(27)30/h4-13H,1-3H3,(H2,27,30)(H,28,29) | 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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 using biotinylated-ATF2 as substrate by HTRF assay |
Bioorg Med Chem Lett 21: 7072-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.090
BindingDB Entry DOI: 10.7270/Q2V69K0W |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50358526
(CHEMBL1923188)Show SMILES COc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H16F3N3O3/c1-28-12-6-8-13(9-7-12)29-18-10-17(15(11-25-18)20(21,22)23)26-16-5-3-2-4-14(16)19(24)27/h2-11H,1H3,(H2,24,27)(H,25,26) | 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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 using biotinylated-ATF2 as substrate by HTRF assay |
Bioorg Med Chem Lett 21: 7072-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.090
BindingDB Entry DOI: 10.7270/Q2V69K0W |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50495035
(CHEMBL3099972)Show SMILES CNc1onc(c1-c1ccc(F)cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1 Show InChI InChI=1S/C25H24FN5O2/c1-27-25-23(17-2-4-19(26)5-3-17)24(30-33-25)18-10-11-28-22(16-18)29-20-6-8-21(9-7-20)31-12-14-32-15-13-31/h2-11,16,27H,12-15H2,1H3,(H,28,29) | 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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 (39 to 402 amino acids) (unknown origin) expressed in Escherichia coli BL21(DE3) using biotinylated ATF2 as substrate after 15 min... |
Bioorg Med Chem Lett 24: 161-4 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.052
BindingDB Entry DOI: 10.7270/Q2XG9V3X |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50364655
(CHEMBL1951445)Show SMILES Oc1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)cc1 Show InChI InChI=1S/C25H19N5O2/c31-21-11-5-17(6-12-21)16-1-7-19(8-2-16)29-25(32)30-20-9-3-18(4-10-20)22-13-14-26-24-23(22)27-15-28-24/h1-15,31H,(H,26,27,28)(H2,29,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP3A4 in supersomes using midazolam as substrate after 5 mins by LC-MS/MS analysis |
Bioorg Med Chem Lett 22: 1611-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.125
BindingDB Entry DOI: 10.7270/Q2T72HXJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50358505
(CHEMBL1923208)Show SMILES COc1ccc(Oc2cc(Nc3ccc(Cl)cc3C(N)=O)c(cn2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H15ClF3N3O3/c1-29-12-3-5-13(6-4-12)30-18-9-17(15(10-26-18)20(22,23)24)27-16-7-2-11(21)8-14(16)19(25)28/h2-10H,1H3,(H2,25,28)(H,26,27) | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 using biotinylated-ATF2 as substrate by HTRF assay |
Bioorg Med Chem Lett 21: 7072-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.090
BindingDB Entry DOI: 10.7270/Q2V69K0W |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50495040
(CHEMBL3099968)Show SMILES Cc1onc(c1-c1ccc(F)cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1 Show InChI InChI=1S/C25H23FN4O2/c1-17-24(18-2-4-20(26)5-3-18)25(29-32-17)19-10-11-27-23(16-19)28-21-6-8-22(9-7-21)30-12-14-31-15-13-30/h2-11,16H,12-15H2,1H3,(H,27,28) | 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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 (39 to 402 amino acids) (unknown origin) expressed in Escherichia coli BL21(DE3) using biotinylated ATF2 as substrate after 15 min... |
Bioorg Med Chem Lett 24: 161-4 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.052
BindingDB Entry DOI: 10.7270/Q2XG9V3X |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50495031
(CHEMBL3099975)Show SMILES Oc1onc(c1-c1ccc(F)cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1 Show InChI InChI=1S/C24H21FN4O3/c25-18-3-1-16(2-4-18)22-23(28-32-24(22)30)17-9-10-26-21(15-17)27-19-5-7-20(8-6-19)29-11-13-31-14-12-29/h1-10,15,30H,11-14H2,(H,26,27) | 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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 (unknown origin) |
Bioorg Med Chem Lett 24: 161-4 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.052
BindingDB Entry DOI: 10.7270/Q2XG9V3X |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50358510
(CHEMBL1923203)Show SMILES NC(=O)c1ccccc1Nc1cc(Oc2ccc(cc2)N2CCNCC2)ncc1C(F)(F)F Show InChI InChI=1S/C23H22F3N5O2/c24-23(25,26)18-14-29-21(13-20(18)30-19-4-2-1-3-17(19)22(27)32)33-16-7-5-15(6-8-16)31-11-9-28-10-12-31/h1-8,13-14,28H,9-12H2,(H2,27,32)(H,29,30) | 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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 using biotinylated-ATF2 as substrate by HTRF assay |
Bioorg Med Chem Lett 21: 7072-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.090
BindingDB Entry DOI: 10.7270/Q2V69K0W |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50358523
(CHEMBL1923191)Show SMILES NC(=O)c1ccccc1Nc1cc(Oc2ccc(OC(F)(F)F)cc2)ncc1C(F)(F)F Show InChI InChI=1S/C20H13F6N3O3/c21-19(22,23)14-10-28-17(31-11-5-7-12(8-6-11)32-20(24,25)26)9-16(14)29-15-4-2-1-3-13(15)18(27)30/h1-10H,(H2,27,30)(H,28,29) | 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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 using biotinylated-ATF2 as substrate by HTRF assay |
Bioorg Med Chem Lett 21: 7072-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.090
BindingDB Entry DOI: 10.7270/Q2V69K0W |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50358522
(CHEMBL1923192)Show SMILES CCOc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)cc1 Show InChI InChI=1S/C21H18F3N3O3/c1-2-29-13-7-9-14(10-8-13)30-19-11-18(16(12-26-19)21(22,23)24)27-17-6-4-3-5-15(17)20(25)28/h3-12H,2H2,1H3,(H2,25,28)(H,26,27) | 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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 using biotinylated-ATF2 as substrate by HTRF assay |
Bioorg Med Chem Lett 21: 7072-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.090
BindingDB Entry DOI: 10.7270/Q2V69K0W |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50358523
(CHEMBL1923191)Show SMILES NC(=O)c1ccccc1Nc1cc(Oc2ccc(OC(F)(F)F)cc2)ncc1C(F)(F)F Show InChI InChI=1S/C20H13F6N3O3/c21-19(22,23)14-10-28-17(31-11-5-7-12(8-6-11)32-20(24,25)26)9-16(14)29-15-4-2-1-3-13(15)18(27)30/h1-10H,(H2,27,30)(H,28,29) | 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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 using biotinylated-ATF2 as substrate by HTRF assay |
Bioorg Med Chem Lett 21: 7072-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.090
BindingDB Entry DOI: 10.7270/Q2V69K0W |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50358526
(CHEMBL1923188)Show SMILES COc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H16F3N3O3/c1-28-12-6-8-13(9-7-12)29-18-10-17(15(11-25-18)20(21,22)23)26-16-5-3-2-4-14(16)19(24)27/h2-11H,1H3,(H2,24,27)(H,25,26) | 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 | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 using biotinylated-ATF2 as substrate by HTRF assay |
Bioorg Med Chem Lett 21: 7072-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.090
BindingDB Entry DOI: 10.7270/Q2V69K0W |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50358525
(CHEMBL1923189)Show SMILES COc1cccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)c1 Show InChI InChI=1S/C20H16F3N3O3/c1-28-12-5-4-6-13(9-12)29-18-10-17(15(11-25-18)20(21,22)23)26-16-8-3-2-7-14(16)19(24)27/h2-11H,1H3,(H2,24,27)(H,25,26) | 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 | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 using biotinylated-ATF2 as substrate by HTRF assay |
Bioorg Med Chem Lett 21: 7072-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.090
BindingDB Entry DOI: 10.7270/Q2V69K0W |
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 | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50364637
(CHEMBL1951332)Show SMILES CCOC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1 Show InChI InChI=1S/C22H19N5O3/c1-2-30-21(28)15-4-3-5-17(12-15)27-22(29)26-16-8-6-14(7-9-16)18-10-11-23-20-19(18)24-13-25-20/h3-13H,2H2,1H3,(H,23,24,25)(H2,26,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP3A4 in supersomes using midazolam as substrate after 5 mins by LC-MS/MS analysis |
Bioorg Med Chem Lett 22: 1611-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.125
BindingDB Entry DOI: 10.7270/Q2T72HXJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50358512
(CHEMBL1923201)Show SMILES NC(=O)c1ccccc1Nc1cc(Oc2ccc3OCOc3c2)ncc1C(F)(F)F Show InChI InChI=1S/C20H14F3N3O4/c21-20(22,23)13-9-25-18(30-11-5-6-16-17(7-11)29-10-28-16)8-15(13)26-14-4-2-1-3-12(14)19(24)27/h1-9H,10H2,(H2,24,27)(H,25,26) | 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 | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 using biotinylated-ATF2 as substrate by HTRF assay |
Bioorg Med Chem Lett 21: 7072-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.090
BindingDB Entry DOI: 10.7270/Q2V69K0W |
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 10
(Homo sapiens (Human)) | BDBM50358506
(CHEMBL1923207)Show SMILES COc1ccc(Oc2cc(Nc3ccc(F)cc3C(N)=O)c(cn2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H15F4N3O3/c1-29-12-3-5-13(6-4-12)30-18-9-17(15(10-26-18)20(22,23)24)27-16-7-2-11(21)8-14(16)19(25)28/h2-10H,1H3,(H2,25,28)(H,26,27) | 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 | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 using biotinylated-ATF2 as substrate by HTRF assay |
Bioorg Med Chem Lett 21: 7072-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.090
BindingDB Entry DOI: 10.7270/Q2V69K0W |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50364642
(CHEMBL1951338)Show SMILES CCN(CC)C(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1 Show InChI InChI=1S/C24H24N6O2/c1-3-30(4-2)23(31)17-6-5-7-19(14-17)29-24(32)28-18-10-8-16(9-11-18)20-12-13-25-22-21(20)26-15-27-22/h5-15H,3-4H2,1-2H3,(H,25,26,27)(H2,28,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP3A4 in supersomes using midazolam as substrate after 5 mins by LC-MS/MS analysis |
Bioorg Med Chem Lett 22: 1611-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.125
BindingDB Entry DOI: 10.7270/Q2T72HXJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50358512
(CHEMBL1923201)Show SMILES NC(=O)c1ccccc1Nc1cc(Oc2ccc3OCOc3c2)ncc1C(F)(F)F Show InChI InChI=1S/C20H14F3N3O4/c21-20(22,23)13-9-25-18(30-11-5-6-16-17(7-11)29-10-28-16)8-15(13)26-14-4-2-1-3-12(14)19(24)27/h1-9H,10H2,(H2,24,27)(H,25,26) | 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 | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 using biotinylated-ATF2 as substrate by HTRF assay |
Bioorg Med Chem Lett 21: 7072-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.090
BindingDB Entry DOI: 10.7270/Q2V69K0W |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50358528
(CHEMBL1923186)Show InChI InChI=1S/C19H16FN3O3/c1-25-12-6-8-13(9-7-12)26-18-10-17(15(20)11-22-18)23-16-5-3-2-4-14(16)19(21)24/h2-11H,1H3,(H2,21,24)(H,22,23) | 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 | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 using biotinylated-ATF2 as substrate by HTRF assay |
Bioorg Med Chem Lett 21: 7072-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.090
BindingDB Entry DOI: 10.7270/Q2V69K0W |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50364657
(CHEMBL1951447)Show SMILES COc1cccc(c1)-c1ccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)cc1 Show InChI InChI=1S/C26H21N5O2/c1-33-22-4-2-3-19(15-22)17-5-9-20(10-6-17)30-26(32)31-21-11-7-18(8-12-21)23-13-14-27-25-24(23)28-16-29-25/h2-16H,1H3,(H,27,28,29)(H2,30,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP3A4 in supersomes using midazolam as substrate after 5 mins by LC-MS/MS analysis |
Bioorg Med Chem Lett 22: 1611-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.125
BindingDB Entry DOI: 10.7270/Q2T72HXJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50358504
(CHEMBL1923209)Show SMILES COc1ccc(Oc2cc(Nc3cc(F)ccc3C(N)=O)c(cn2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H15F4N3O3/c1-29-12-3-5-13(6-4-12)30-18-9-17(15(10-26-18)20(22,23)24)27-16-8-11(21)2-7-14(16)19(25)28/h2-10H,1H3,(H2,25,28)(H,26,27) | 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 | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 using biotinylated-ATF2 as substrate by HTRF assay |
Bioorg Med Chem Lett 21: 7072-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.090
BindingDB Entry DOI: 10.7270/Q2V69K0W |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50495029
(CHEMBL3100084)Show SMILES Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2-c2cnn(C)c2)cc1 Show InChI InChI=1S/C21H18N8O/c1-14-23-13-29(26-14)18-5-3-17(4-6-18)25-20-9-15(7-8-22-20)21-19(12-30-27-21)16-10-24-28(2)11-16/h3-13H,1-2H3,(H,22,25) | 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 | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 (39 to 402 amino acids) (unknown origin) expressed in Escherichia coli BL21(DE3) using biotinylated ATF2 as substrate after 15 min... |
Bioorg Med Chem Lett 24: 161-4 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.052
BindingDB Entry DOI: 10.7270/Q2XG9V3X |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50364643
(CHEMBL1951340)Show SMILES O=C(Nc1ccc(cc1)-c1ccnc2nc[nH]c12)Nc1cccc(c1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C26H20N6O2/c33-25(30-19-6-2-1-3-7-19)18-5-4-8-21(15-18)32-26(34)31-20-11-9-17(10-12-20)22-13-14-27-24-23(22)28-16-29-24/h1-16H,(H,30,33)(H,27,28,29)(H2,31,32,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP3A4 in supersomes using midazolam as substrate after 5 mins by LC-MS/MS analysis |
Bioorg Med Chem Lett 22: 1611-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.125
BindingDB Entry DOI: 10.7270/Q2T72HXJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50358509
(CHEMBL1923204)Show SMILES NC(=O)c1ccccc1Nc1cc(Oc2ccc(cc2)-c2cccnc2)ncc1C(F)(F)F Show InChI InChI=1S/C24H17F3N4O2/c25-24(26,27)19-14-30-22(12-21(19)31-20-6-2-1-5-18(20)23(28)32)33-17-9-7-15(8-10-17)16-4-3-11-29-13-16/h1-14H,(H2,28,32)(H,30,31) | 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 | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 using biotinylated-ATF2 as substrate by HTRF assay |
Bioorg Med Chem Lett 21: 7072-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.090
BindingDB Entry DOI: 10.7270/Q2V69K0W |
More data for this
Ligand-Target Pair | |
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