Found 83 hits of ic50 for UniProtKB: P45983 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50492032
(CHEMBL2392831)Show SMILES CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(OCC3CCS(=O)(=O)C3)cccc12 |r,wU:8.11,wD:5.4,(17.22,-45.97,;18.56,-46.73,;17.79,-48.07,;19.33,-48.07,;19.89,-45.97,;19.89,-44.43,;21.22,-43.66,;21.22,-42.12,;19.89,-41.35,;18.56,-42.12,;18.56,-43.66,;19.89,-39.81,;21.22,-39.04,;21.22,-37.51,;22.55,-36.73,;23.89,-37.5,;23.89,-39.04,;22.56,-39.81,;25.34,-39.55,;26.61,-38.67,;27.83,-39.61,;27.33,-41.06,;28.06,-42.4,;29.6,-42.44,;30.37,-43.77,;31.91,-43.77,;32.81,-42.52,;34.28,-43,;34.28,-44.54,;34.9,-45.95,;35.81,-44.7,;32.81,-45.02,;27.26,-43.71,;25.72,-43.68,;24.99,-42.33,;25.79,-41.02,)| Show InChI InChI=1S/C24H31N5O5S2/c1-35(30,31)28-19-7-5-18(6-8-19)26-24-25-12-9-23(27-24)29-13-10-20-21(29)3-2-4-22(20)34-15-17-11-14-36(32,33)16-17/h2-4,9-10,12-13,17-19,28H,5-8,11,14-16H2,1H3,(H,25,26,27)/t17?,18-,19- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of JNK-mediated c-Jun activation in TNFalpha-induced human SW1353 cells preincubated for 30 mins prior to TNFalpha treatment measured afte... |
Bioorg Med Chem Lett 23: 3565-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.029
BindingDB Entry DOI: 10.7270/Q2MG7SF1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM102560
(US8536172, I-9)Show SMILES CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:8.11,wD:5.4,(-9.56,-3.47,;-8.22,-4.24,;-8.22,-5.78,;-6.89,-5.01,;-6.89,-3.47,;-6.89,-1.93,;-5.55,-1.16,;-5.55,.38,;-6.89,1.15,;-8.22,.38,;-8.22,-1.16,;-6.89,2.69,;-5.55,3.46,;-5.55,5,;-4.22,5.78,;-2.89,5,;-2.89,3.46,;-4.22,2.69,;-1.55,2.69,;-.09,3.17,;.82,1.92,;-.09,.68,;.23,-.83,;-.91,-1.86,;-2.38,-1.38,;-2.7,.12,;-1.55,1.15,;1.72,-1.23,;2.12,-2.71,;3.61,-3.11,;4.69,-2.02,;4.3,-.54,;2.81,-.14,;6.18,-2.42,;7.27,-1.33,;6.58,-3.91,;8.07,-4.31,;9.56,-4.71,)| Show InChI InChI=1S/C26H32N8O3S/c1-38(36,37)31-20-7-5-19(6-8-20)29-26-28-13-10-24(30-26)34-14-11-21-22(3-2-4-23(21)34)32-15-17-33(18-16-32)25(35)9-12-27/h2-4,10-11,13-14,19-20,31H,5-9,15-18H2,1H3,(H,28,29,30)/t19-,20- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of JNK-mediated c-Jun activation in TNFalpha-induced human SW1353 cells preincubated for 30 mins prior to TNFalpha treatment measured afte... |
Bioorg Med Chem Lett 23: 3565-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.029
BindingDB Entry DOI: 10.7270/Q2MG7SF1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM102604
(US8536172, I-53)Show SMILES CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCn3cnnc3C2)n1 |r,wU:25.27,wD:28.34,(8.29,10.79,;7.2,9.7,;6.11,10.79,;8.29,8.61,;6.11,8.61,;6.51,7.12,;5.42,6.03,;3.93,6.43,;3.53,7.92,;4.62,9.01,;2.84,5.34,;3.47,3.94,;2.56,2.69,;1.03,2.85,;.4,4.26,;-1.06,4.74,;-1.06,6.28,;.4,6.75,;1.31,5.51,;-2.15,3.65,;-3.64,4.04,;-4.73,2.96,;-4.33,1.47,;-2.84,1.07,;-2.44,-.42,;-3.53,-1.51,;-3.13,-2.99,;-4.22,-4.08,;-5.71,-3.68,;-6.11,-2.2,;-5.02,-1.11,;-6.8,-4.77,;-8.29,-4.38,;-6.4,-6.26,;-7.64,-7.17,;-7.48,-8.7,;-6.08,-9.32,;-5.6,-10.79,;-4.06,-10.79,;-3.59,-9.32,;-4.83,-8.42,;-4.99,-6.89,;-1.75,2.16,)| Show InChI InChI=1S/C30H37N9O3S/c1-43(41,42)23-10-14-36(15-11-23)25-3-2-4-26-24(25)12-16-39(26)27-9-13-31-30(34-27)33-22-7-5-21(6-8-22)29(40)37-17-18-38-20-32-35-28(38)19-37/h2-4,9,12-13,16,20-23H,5-8,10-11,14-15,17-19H2,1H3,(H,31,33,34)/t21-,22- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of JNK-mediated c-Jun activation in TNFalpha-induced human SW1353 cells preincubated for 30 mins prior to TNFalpha treatment measured afte... |
Bioorg Med Chem Lett 23: 3565-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.029
BindingDB Entry DOI: 10.7270/Q2MG7SF1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM102563
(US8536172, I-12)Show SMILES CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:25.27,wD:28.31,(5.57,-4.44,;6.66,-3.35,;7.75,-2.27,;7.06,-4.84,;5.17,-2.96,;4.08,-4.04,;2.59,-3.65,;2.19,-2.16,;3.28,-1.07,;4.77,-1.47,;.71,-1.76,;-.44,-2.79,;-1.9,-2.31,;-2.22,-.81,;-1.08,.22,;-1.08,1.76,;.39,2.24,;1.29,.99,;.39,-.25,;-2.41,2.53,;-2.41,4.07,;-3.75,4.84,;-5.08,4.07,;-5.08,2.53,;-6.41,1.76,;-6.41,.22,;-5.08,-.55,;-5.08,-2.09,;-6.41,-2.86,;-6.41,-4.4,;-7.75,-2.09,;-7.75,-.55,;-3.75,1.76,)| Show InChI InChI=1S/C24H31N5O3S/c1-33(31,32)19-10-14-28(15-11-19)21-3-2-4-22-20(21)12-16-29(22)23-9-13-25-24(27-23)26-17-5-7-18(30)8-6-17/h2-4,9,12-13,16-19,30H,5-8,10-11,14-15H2,1H3,(H,25,26,27)/t17-,18- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of JNK-mediated c-Jun activation in TNFalpha-induced human SW1353 cells preincubated for 30 mins prior to TNFalpha treatment measured afte... |
Bioorg Med Chem Lett 23: 3565-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.029
BindingDB Entry DOI: 10.7270/Q2MG7SF1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM102617
(US8536172, I-66)Show SMILES CS(=O)(=O)C1CCN(CC1)c1cccc2n(ncc12)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:25.27,wD:28.31,(10.53,3.6,;9.19,2.83,;8.42,4.17,;9.96,1.5,;7.86,2.06,;7.86,.52,;6.52,-.25,;5.19,.52,;5.19,2.06,;6.52,2.83,;3.86,-.25,;3.86,-1.79,;2.52,-2.56,;1.19,-1.79,;1.19,-.25,;.04,.78,;.67,2.19,;2.2,2.03,;2.52,.52,;-1.5,.78,;-2.27,2.12,;-3.81,2.12,;-4.58,.78,;-3.81,-.55,;-4.58,-1.88,;-6.06,-2.28,;-6.46,-3.77,;-7.95,-4.17,;-9.04,-3.08,;-10.53,-3.48,;-8.64,-1.59,;-7.15,-1.19,;-2.27,-.55,)| Show InChI InChI=1S/C23H30N6O3S/c1-33(31,32)18-10-13-28(14-11-18)20-3-2-4-21-19(20)15-25-29(21)22-9-12-24-23(27-22)26-16-5-7-17(30)8-6-16/h2-4,9,12,15-18,30H,5-8,10-11,13-14H2,1H3,(H,24,26,27)/t16-,17- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of JNK-mediated c-Jun activation in TNFalpha-induced human SW1353 cells preincubated for 30 mins prior to TNFalpha treatment measured afte... |
Bioorg Med Chem Lett 23: 3565-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.029
BindingDB Entry DOI: 10.7270/Q2MG7SF1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50492031
(CHEMBL2392839)Show SMILES CCOC1CCN(C1)C(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:13.17,wD:10.10,(54.24,-52.52,;55.78,-52.68,;56.68,-51.44,;58.21,-51.6,;58.98,-52.93,;60.49,-52.61,;60.65,-51.07,;59.24,-50.45,;61.98,-50.3,;63.32,-51.07,;61.98,-48.76,;63.31,-48,;63.31,-46.46,;61.98,-45.68,;60.66,-46.46,;60.66,-48,;61.98,-44.14,;63.32,-43.37,;63.31,-41.84,;64.64,-41.07,;65.98,-41.84,;65.98,-43.38,;64.65,-44.15,;67.44,-43.89,;68.7,-43.01,;69.93,-43.94,;69.42,-45.39,;70.15,-46.74,;69.36,-48.05,;67.81,-48.01,;67.08,-46.66,;67.88,-45.35,;71.69,-46.77,;72.43,-48.12,;73.96,-48.16,;74.77,-46.85,;74.03,-45.49,;72.49,-45.45,;76.31,-46.89,;77.04,-48.24,;77.66,-46.15,;76.35,-45.35,)| Show InChI InChI=1S/C31H42N6O4S/c1-3-41-24-12-17-36(21-24)30(38)22-7-9-23(10-8-22)33-31-32-16-11-29(34-31)37-20-15-26-27(5-4-6-28(26)37)35-18-13-25(14-19-35)42(2,39)40/h4-6,11,15-16,20,22-25H,3,7-10,12-14,17-19,21H2,1-2H3,(H,32,33,34)/t22-,23-,24? | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of JNK-mediated c-Jun activation in TNFalpha-induced human SW1353 cells preincubated for 30 mins prior to TNFalpha treatment measured afte... |
Bioorg Med Chem Lett 23: 3565-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.029
BindingDB Entry DOI: 10.7270/Q2MG7SF1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506722
(CHEMBL4439862)Show InChI InChI=1S/C16H11N3O/c1-9-5-4-8-12-13(9)18-14-10-6-2-3-7-11(10)15(19-20)16(14)17-12/h2-8,20H,1H3/b19-15- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506715
(CHEMBL4449918)Show InChI InChI=1S/C17H13N3O/c1-9-7-13-14(8-10(9)2)19-17-15(18-13)11-5-3-4-6-12(11)16(17)20-21/h3-8,21H,1-2H3/b20-16- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM102569
(US8536172, I-18)Show SMILES CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:25.27,wD:28.34,(5.57,-3.13,;6.66,-2.04,;7.75,-.95,;7.06,-3.52,;5.17,-1.64,;4.08,-2.73,;2.59,-2.33,;2.19,-.84,;3.28,.25,;4.77,-.15,;.71,-.44,;-.44,-1.47,;-1.9,-1,;-2.22,.51,;-1.08,1.54,;-1.08,3.08,;.39,3.56,;1.29,2.31,;.39,1.06,;-2.41,3.85,;-2.41,5.39,;-3.75,6.16,;-5.08,5.39,;-5.08,3.85,;-6.41,3.08,;-6.41,1.54,;-5.08,.77,;-5.08,-.77,;-6.41,-1.54,;-7.75,-.77,;-7.75,.77,;-6.41,-3.08,;-7.75,-3.85,;-5.08,-3.85,;-5.08,-5.39,;-3.75,-6.16,;-2.41,-5.39,;-1.08,-6.16,;-2.41,-3.85,;-3.75,-3.08,;-3.75,3.08,)| Show InChI InChI=1S/C30H40N6O4S/c1-41(39,40)24-12-18-34(19-13-24)26-3-2-4-27-25(26)14-20-36(27)28-9-15-31-30(33-28)32-22-7-5-21(6-8-22)29(38)35-16-10-23(37)11-17-35/h2-4,9,14-15,20-24,37H,5-8,10-13,16-19H2,1H3,(H,31,32,33)/t21-,22- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of JNK-mediated c-Jun activation in TNFalpha-induced human SW1353 cells preincubated for 30 mins prior to TNFalpha treatment measured afte... |
Bioorg Med Chem Lett 23: 3565-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.029
BindingDB Entry DOI: 10.7270/Q2MG7SF1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM29315
(2-amino-1,3,4-thiadiazole, 9)Show InChI InChI=1S/C5H3N5O2S3/c6-3-8-9-5(14-3)15-4-7-1-2(13-4)10(11)12/h1H,(H2,6,8) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Inhibition of JNK (unknown origin) |
J Med Chem 61: 3239-3252 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01817
BindingDB Entry DOI: 10.7270/Q2542R5N |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM102564
(US8536172, I-13)Show SMILES CC(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:7.10,wD:4.3,(-3.75,-3.47,;-5.08,-4.24,;-5.08,-5.78,;-6.41,-3.47,;-6.41,-1.93,;-5.08,-1.16,;-5.08,.38,;-6.41,1.15,;-7.75,.38,;-7.75,-1.16,;-6.41,2.69,;-5.08,3.46,;-5.08,5,;-3.75,5.78,;-2.41,5,;-2.41,3.46,;-3.75,2.69,;-1.08,2.69,;.39,3.17,;1.29,1.92,;.39,.68,;.71,-.83,;-.44,-1.86,;-1.9,-1.38,;-2.22,.12,;-1.08,1.15,;2.19,-1.23,;2.59,-2.71,;4.08,-3.11,;5.17,-2.02,;4.77,-.54,;3.28,-.14,;6.66,-2.42,;5.57,-3.51,;7.75,-1.33,;7.06,-3.91,)| Show InChI InChI=1S/C26H34N6O3S/c1-18(33)28-19-6-8-20(9-7-19)29-26-27-14-10-25(30-26)32-17-13-22-23(4-3-5-24(22)32)31-15-11-21(12-16-31)36(2,34)35/h3-5,10,13-14,17,19-21H,6-9,11-12,15-16H2,1-2H3,(H,28,33)(H,27,29,30)/t19-,20- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of JNK-mediated c-Jun activation in TNFalpha-induced human SW1353 cells preincubated for 30 mins prior to TNFalpha treatment measured afte... |
Bioorg Med Chem Lett 23: 3565-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.029
BindingDB Entry DOI: 10.7270/Q2MG7SF1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM102557
(US8536172, I-6)Show SMILES CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:8.11,wD:5.4,(-6.41,-5.01,;-5.08,-4.24,;-5.08,-5.78,;-3.75,-3.47,;-6.41,-3.47,;-6.41,-1.93,;-5.08,-1.16,;-5.08,.38,;-6.41,1.15,;-7.75,.38,;-7.75,-1.16,;-6.41,2.69,;-5.08,3.46,;-5.08,5,;-3.75,5.78,;-2.41,5,;-2.41,3.46,;-3.75,2.69,;-1.08,2.69,;.39,3.17,;1.29,1.92,;.39,.68,;.71,-.83,;-.44,-1.86,;-1.9,-1.38,;-2.22,.12,;-1.08,1.15,;2.19,-1.23,;2.59,-2.71,;4.08,-3.11,;5.17,-2.02,;4.77,-.54,;3.28,-.14,;6.66,-2.42,;5.57,-3.51,;7.75,-1.33,;7.06,-3.91,)| Show InChI InChI=1S/C25H34N6O4S2/c1-36(32,33)20-11-15-30(16-12-20)22-4-3-5-23-21(22)13-17-31(23)24-10-14-26-25(28-24)27-18-6-8-19(9-7-18)29-37(2,34)35/h3-5,10,13-14,17-20,29H,6-9,11-12,15-16H2,1-2H3,(H,26,27,28)/t18-,19- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of JNK-mediated c-Jun activation in TNFalpha-induced human SW1353 cells preincubated for 30 mins prior to TNFalpha treatment measured afte... |
Bioorg Med Chem Lett 23: 3565-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.029
BindingDB Entry DOI: 10.7270/Q2MG7SF1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM102562
(US8536172, I-11)Show SMILES CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CO |r,wU:8.11,wD:5.4,(-8.81,-3.47,;-7.48,-4.24,;-7.48,-5.78,;-6.14,-5.01,;-6.14,-3.47,;-6.14,-1.93,;-4.81,-1.16,;-4.81,.38,;-6.14,1.15,;-7.48,.38,;-7.48,-1.16,;-6.14,2.69,;-4.81,3.46,;-4.81,5,;-3.48,5.78,;-2.14,5,;-2.14,3.46,;-3.48,2.69,;-.81,2.69,;.66,3.17,;1.56,1.92,;.66,.68,;.98,-.83,;-.17,-1.86,;-1.63,-1.38,;-1.95,.12,;-.81,1.15,;2.46,-1.23,;2.86,-2.71,;4.35,-3.11,;5.44,-2.02,;5.04,-.54,;3.55,-.14,;6.93,-2.42,;8.01,-1.33,;7.32,-3.91,;8.81,-4.31,)| Show InChI InChI=1S/C25H33N7O4S/c1-37(35,36)29-19-7-5-18(6-8-19)27-25-26-11-9-23(28-25)32-12-10-20-21(3-2-4-22(20)32)30-13-15-31(16-14-30)24(34)17-33/h2-4,9-12,18-19,29,33H,5-8,13-17H2,1H3,(H,26,27,28)/t18-,19- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of JNK-mediated c-Jun activation in TNFalpha-induced human SW1353 cells preincubated for 30 mins prior to TNFalpha treatment measured afte... |
Bioorg Med Chem Lett 23: 3565-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.029
BindingDB Entry DOI: 10.7270/Q2MG7SF1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506716
(CHEMBL4521282)Show InChI InChI=1S/C16H11N3O/c1-9-6-7-12-13(8-9)18-14-10-4-2-3-5-11(10)15(19-20)16(14)17-12/h2-8,20H,1H3/b19-15- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50126732
(2-(2,6-Dichloro-phenylamino)-7-(3-diethylamino-pro...)Show SMILES CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5| Show InChI InChI=1S/C25H27Cl2N5O/c1-5-32(6-2)14-8-11-19-15(3)16-12-13-20-23(21(16)24(33)28-19)31(4)25(29-20)30-22-17(26)9-7-10-18(22)27/h7-13H,5-6,14H2,1-4H3,(H,28,33)(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of c-Jun N-terminal kinase |
J Med Chem 46: 1337-49 (2003)
Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50492029
(CHEMBL2390974)Show SMILES CS(=O)(=O)CCCOc1cccc2n(ncc12)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:23.24,wD:26.28,(24.35,-15.74,;23.55,-17.06,;23.51,-18.6,;24.86,-17.86,;22.01,-17.02,;21.21,-18.34,;19.67,-18.3,;18.87,-19.62,;17.33,-19.59,;16.54,-20.9,;14.99,-20.86,;14.26,-19.51,;15.06,-18.2,;14.61,-16.74,;15.88,-15.86,;17.11,-16.79,;16.6,-18.24,;13.16,-16.23,;13.16,-14.69,;11.82,-13.92,;10.49,-14.69,;10.5,-16.22,;9.16,-16.99,;9.16,-18.53,;10.49,-19.31,;10.49,-20.85,;9.16,-21.61,;9.16,-23.15,;7.83,-20.85,;7.83,-19.31,;11.83,-17,)| Show InChI InChI=1S/C21H27N5O4S/c1-31(28,29)13-3-12-30-19-5-2-4-18-17(19)14-23-26(18)20-10-11-22-21(25-20)24-15-6-8-16(27)9-7-15/h2,4-5,10-11,14-16,27H,3,6-9,12-13H2,1H3,(H,22,24,25)/t15-,16- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of JNK-mediated c-Jun activation in TNFalpha-induced human SW1353 cells preincubated for 30 mins prior to TNFalpha treatment measured afte... |
Bioorg Med Chem Lett 23: 3565-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.029
BindingDB Entry DOI: 10.7270/Q2MG7SF1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506712
(CHEMBL4583031)Show InChI InChI=1S/C15H8ClN3O/c16-8-5-6-11-12(7-8)18-13-9-3-1-2-4-10(9)14(19-20)15(13)17-11/h1-7,20H/b19-14- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM317462
(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1 Show InChI InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of JNK1/JNK2/JNK3 in human HCT116 cell lysate after 1 hr by LC-MS/MS analysis relative to control |
J Med Chem 60: 8989-9002 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01223
BindingDB Entry DOI: 10.7270/Q2GF0WX9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM102571
(US8536172, I-20)Show SMILES CCOC(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:8.11,wD:5.4,(-2.41,-5.01,;-3.75,-4.24,;-5.08,-5.01,;-6.41,-4.24,;-7.75,-5.01,;-6.41,-2.7,;-5.08,-1.93,;-5.08,-.39,;-6.41,.38,;-7.75,-.39,;-7.75,-1.93,;-6.41,1.92,;-5.08,2.69,;-5.08,4.23,;-3.75,5.01,;-2.41,4.23,;-2.41,2.69,;-3.75,1.92,;-1.08,1.92,;.39,2.4,;1.29,1.15,;.39,-.09,;.71,-1.6,;-.44,-2.63,;-1.9,-2.15,;-2.22,-.65,;-1.08,.38,;2.19,-2,;2.59,-3.48,;4.08,-3.88,;5.17,-2.79,;4.77,-1.31,;3.28,-.91,;6.66,-3.19,;5.57,-4.28,;7.75,-2.1,;7.06,-4.68,)| Show InChI InChI=1S/C27H35N5O4S/c1-3-36-26(33)19-7-9-20(10-8-19)29-27-28-15-11-25(30-27)32-18-14-22-23(5-4-6-24(22)32)31-16-12-21(13-17-31)37(2,34)35/h4-6,11,14-15,18-21H,3,7-10,12-13,16-17H2,1-2H3,(H,28,29,30)/t19-,20- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of JNK-mediated c-Jun activation in TNFalpha-induced human SW1353 cells preincubated for 30 mins prior to TNFalpha treatment measured afte... |
Bioorg Med Chem Lett 23: 3565-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.029
BindingDB Entry DOI: 10.7270/Q2MG7SF1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM102568
(US8536172, I-17)Show SMILES C[C@@]1(O)CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:1.1,5.8,wD:1.0,(-5.08,-3.63,;-6.41,-2.86,;-6.41,-4.4,;-5.08,-2.09,;-5.08,-.55,;-6.41,.22,;-7.75,-.55,;-7.75,-2.09,;-6.41,1.76,;-5.08,2.53,;-5.08,4.07,;-3.75,4.84,;-2.41,4.07,;-2.41,2.53,;-3.75,1.76,;-1.08,1.76,;.39,2.24,;1.29,.99,;.39,-.25,;.71,-1.76,;-.44,-2.79,;-1.9,-2.31,;-2.22,-.81,;-1.08,.22,;2.19,-2.16,;2.59,-3.65,;4.08,-4.04,;5.17,-2.96,;4.77,-1.47,;3.28,-1.07,;6.66,-3.35,;5.57,-4.44,;7.75,-2.27,;7.06,-4.84,)| Show InChI InChI=1S/C25H33N5O3S/c1-25(31)12-6-18(7-13-25)27-24-26-14-8-23(28-24)30-17-11-20-21(4-3-5-22(20)30)29-15-9-19(10-16-29)34(2,32)33/h3-5,8,11,14,17-19,31H,6-7,9-10,12-13,15-16H2,1-2H3,(H,26,27,28)/t18-,25+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of JNK-mediated c-Jun activation in TNFalpha-induced human SW1353 cells preincubated for 30 mins prior to TNFalpha treatment measured afte... |
Bioorg Med Chem Lett 23: 3565-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.029
BindingDB Entry DOI: 10.7270/Q2MG7SF1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50102624
(CHEMBL1234032)Show InChI InChI=1S/C12H9N3/c1-2-4-11-10(3-1)12(15-14-11)9-5-7-13-8-6-9/h1-8H,(H,14,15) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kakatiya University
Curated by ChEMBL
| Assay Description
Inhibition of JNK (unknown origin) |
Bioorg Med Chem 22: 6209-19 (2014)
Article DOI: 10.1016/j.bmc.2014.08.028
BindingDB Entry DOI: 10.7270/Q2FB54Q2 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM102616
(US8536172, I-65)Show SMILES CCOC(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ncc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:8.11,wD:5.4,(-11.67,-5.51,;-11.27,-4.02,;-9.78,-3.62,;-9.38,-2.14,;-10.47,-1.05,;-7.9,-1.74,;-6.81,-2.83,;-5.32,-2.43,;-4.92,-.94,;-6.01,.15,;-7.5,-.25,;-3.43,-.54,;-2.66,.79,;-3.43,2.13,;-2.66,3.46,;-1.12,3.46,;-.35,2.13,;-1.12,.79,;1.19,2.13,;1.81,3.53,;3.35,3.37,;3.67,1.87,;5,1.1,;5,-.44,;3.67,-1.21,;2.33,-.44,;2.33,1.1,;6.33,1.87,;7.67,1.1,;9,1.87,;9,3.41,;7.67,4.18,;6.33,3.41,;10.33,4.18,;11.67,4.95,;9.56,5.51,;11.1,2.84,)| Show InChI InChI=1S/C26H34N6O4S/c1-3-36-25(33)18-7-9-19(10-8-18)29-26-27-14-11-24(30-26)32-23-6-4-5-22(21(23)17-28-32)31-15-12-20(13-16-31)37(2,34)35/h4-6,11,14,17-20H,3,7-10,12-13,15-16H2,1-2H3,(H,27,29,30)/t18-,19- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of JNK-mediated c-Jun activation in TNFalpha-induced human SW1353 cells preincubated for 30 mins prior to TNFalpha treatment measured afte... |
Bioorg Med Chem Lett 23: 3565-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.029
BindingDB Entry DOI: 10.7270/Q2MG7SF1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506720
(CHEMBL4514173)Show InChI InChI=1S/C14H8N4O/c19-18-13-9-4-2-1-3-8(9)12-14(13)17-11-7-15-6-5-10(11)16-12/h1-7,19H/b18-13- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506717
(CHEMBL3759098)Show InChI InChI=1S/C15H9N3O/c19-18-14-10-6-2-1-5-9(10)13-15(14)17-12-8-4-3-7-11(12)16-13/h1-8,19H/b18-14+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506721
(CHEMBL4582239)Show InChI InChI=1S/C19H15N3O3/c1-2-24-16(23)11-25-22-18-13-8-4-3-7-12(13)17-19(18)21-15-10-6-5-9-14(15)20-17/h3-10H,2,11H2,1H3/b22-18+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506723
(CHEMBL4474210)Show SMILES O\N=C1\c2ccccc2-c2nc3ccc(cc3nc12)[N+]([O-])=O Show InChI InChI=1S/C15H8N4O3/c20-18-14-10-4-2-1-3-9(10)13-15(14)17-12-7-8(19(21)22)5-6-11(12)16-13/h1-7,20H/b18-14- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506715
(CHEMBL4449918)Show InChI InChI=1S/C17H13N3O/c1-9-7-13-14(8-10(9)2)19-17-15(18-13)11-5-3-4-6-12(11)16(17)20-21/h3-8,21H,1-2H3/b20-16- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506722
(CHEMBL4439862)Show InChI InChI=1S/C16H11N3O/c1-9-5-4-8-12-13(9)18-14-10-6-2-3-7-11(10)15(19-20)16(14)17-12/h2-8,20H,1H3/b19-15- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506723
(CHEMBL4474210)Show SMILES O\N=C1\c2ccccc2-c2nc3ccc(cc3nc12)[N+]([O-])=O Show InChI InChI=1S/C15H8N4O3/c20-18-14-10-4-2-1-3-9(10)13-15(14)17-12-7-8(19(21)22)5-6-11(12)16-13/h1-7,20H/b18-14- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506718
(CHEMBL1098827)Show InChI InChI=1S/C15H9N3O2/c19-15-9-5-1-3-7-11(9)16-14-13(17-20)10-6-2-4-8-12(10)18(14)15/h1-8,20H/b17-13+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506721
(CHEMBL4582239)Show InChI InChI=1S/C19H15N3O3/c1-2-24-16(23)11-25-22-18-13-8-4-3-7-12(13)17-19(18)21-15-10-6-5-9-14(15)20-17/h3-10H,2,11H2,1H3/b22-18+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506719
(CHEMBL4457644)Show InChI InChI=1S/C14H7ClN4O/c15-7-5-10-14(16-6-7)18-11-8-3-1-2-4-9(8)12(19-20)13(11)17-10/h1-6,20H/b19-12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(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
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506725
(CHEMBL4593099)Show InChI InChI=1S/C14H8N4O/c19-18-12-9-5-2-1-4-8(9)11-13(12)16-10-6-3-7-15-14(10)17-11/h1-7,19H/b18-12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506717
(CHEMBL3759098)Show InChI InChI=1S/C15H9N3O/c19-18-14-10-6-2-1-5-9(10)13-15(14)17-12-8-4-3-7-11(12)16-13/h1-8,19H/b18-14+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506718
(CHEMBL1098827)Show InChI InChI=1S/C15H9N3O2/c19-15-9-5-1-3-7-11(9)16-14-13(17-20)10-6-2-4-8-12(10)18(14)15/h1-8,20H/b17-13+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506716
(CHEMBL4521282)Show InChI InChI=1S/C16H11N3O/c1-9-6-7-12-13(8-9)18-14-10-4-2-3-5-11(10)15(19-20)16(14)17-12/h2-8,20H,1H3/b19-15- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506725
(CHEMBL4593099)Show InChI InChI=1S/C14H8N4O/c19-18-12-9-5-2-1-4-8(9)11-13(12)16-10-6-3-7-15-14(10)17-11/h1-7,19H/b18-12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506724
(CHEMBL4536915)Show InChI InChI=1S/C17H13N3O2/c21-9-10-22-20-16-12-6-2-1-5-11(12)15-17(16)19-14-8-4-3-7-13(14)18-15/h1-8,21H,9-10H2/b20-16+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(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
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506720
(CHEMBL4514173)Show InChI InChI=1S/C14H8N4O/c19-18-13-9-4-2-1-3-8(9)12-14(13)17-11-7-15-6-5-10(11)16-12/h1-7,19H/b18-13- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506712
(CHEMBL4583031)Show InChI InChI=1S/C15H8ClN3O/c16-8-5-6-11-12(7-8)18-13-9-3-1-2-4-10(9)14(19-20)15(13)17-11/h1-7,20H/b19-14- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506724
(CHEMBL4536915)Show InChI InChI=1S/C17H13N3O2/c21-9-10-22-20-16-12-6-2-1-5-11(12)15-17(16)19-14-8-4-3-7-13(14)18-15/h1-8,21H,9-10H2/b20-16+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506726
(CHEMBL4524938)Show InChI InChI=1S/C17H13N3O2/c1-2-22-10-7-8-13-14(9-10)19-15-11-5-3-4-6-12(11)16(20-21)17(15)18-13/h3-9,21H,2H2,1H3/b20-16- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506726
(CHEMBL4524938)Show InChI InChI=1S/C17H13N3O2/c1-2-22-10-7-8-13-14(9-10)19-15-11-5-3-4-6-12(11)16(20-21)17(15)18-13/h3-9,21H,2H2,1H3/b20-16- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50506719
(CHEMBL4457644)Show InChI InChI=1S/C14H7ClN4O/c15-7-5-10-14(16-6-7)18-11-8-3-1-2-4-9(8)12(19-20)13(11)17-10/h1-6,20H/b19-12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Montana State University
Curated by ChEMBL
| Assay Description
Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ... |
Eur J Med Chem 161: 179-191 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.023
BindingDB Entry DOI: 10.7270/Q2TB1B58 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50183843
((S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)Show SMILES COC[C@H](N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O Show InChI InChI=1S/C21H23ClFN5O3/c1-28(17(10-30-2)20(24)29)9-12-7-13-16(8-18(12)31-3)25-11-26-21(13)27-15-6-4-5-14(22)19(15)23/h4-8,11,17H,9-10H2,1-3H3,(H2,24,29)(H,25,26,27)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of JNK |
Bioorg Med Chem Lett 16: 2672-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50183846
(4-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CCN(CC1)C(C)C)C(N)=O Show InChI InChI=1S/C26H32ClFN6O2/c1-16(2)34-10-8-26(9-11-34,25(29)35)33(3)14-17-12-18-21(13-22(17)36-4)30-15-31-24(18)32-20-7-5-6-19(27)23(20)28/h5-7,12-13,15-16H,8-11,14H2,1-4H3,(H2,29,35)(H,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of JNK |
Bioorg Med Chem Lett 16: 2672-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50183847
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CN(C)C1)C(N)=O Show InChI InChI=1S/C22H24ClFN6O2/c1-29-10-22(11-29,21(25)31)30(2)9-13-7-14-17(8-18(13)32-3)26-12-27-20(14)28-16-6-4-5-15(23)19(16)24/h4-8,12H,9-11H2,1-3H3,(H2,25,31)(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of JNK |
Bioorg Med Chem Lett 16: 2672-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10/8/9
(Homo sapiens (Human)) | BDBM50183831
(4-((4-(3-chloro-2-fluorophenylamino)-7-methoxyquin...)Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCOCC1C(N)=O Show InChI InChI=1S/C21H21ClFN5O3/c1-30-18-8-16-13(7-12(18)9-28-5-6-31-10-17(28)20(24)29)21(26-11-25-16)27-15-4-2-3-14(22)19(15)23/h2-4,7-8,11,17H,5-6,9-10H2,1H3,(H2,24,29)(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of JNK |
Bioorg Med Chem Lett 16: 2672-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK |
More data for this
Ligand-Target Pair | |
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