Found 211 hits Enz. Inhib. hit(s) with all data for entry = 5920 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 8
(Homo sapiens (Human)) | BDBM100437
(US8501732, I-1)Show SMILES Clc1ccc2c(c1)n(-c1ccccc1)c(-c1ncco1)c(CNC(=O)c1ccn(Cc3ccccc3)c(=O)c1)c2=O Show InChI InChI=1S/C32H23ClN4O4/c33-23-11-12-25-27(18-23)37(24-9-5-2-6-10-24)29(32-34-14-16-41-32)26(30(25)39)19-35-31(40)22-13-15-36(28(38)17-22)20-21-7-3-1-4-8-21/h1-18H,19-20H2,(H,35,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100549
(US8501732, I-109)Show SMILES COC(=O)c1c(CNC(=O)c2ccc(cc2)S(C)(=O)=O)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C26H21ClN2O6S/c1-35-26(32)23-21(15-28-25(31)16-8-11-19(12-9-16)36(2,33)34)24(30)20-13-10-17(27)14-22(20)29(23)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100445
(US8501732, I-9)Show SMILES O=C(NCc1c(-c2ncco2)n(-c2ccccc2)c2ncccc2c1=O)c1ccn(Cc2ccccc2)c(=O)c1 Show InChI InChI=1S/C31H23N5O4/c37-26-18-22(13-16-35(26)20-21-8-3-1-4-9-21)30(39)34-19-25-27(31-33-15-17-40-31)36(23-10-5-2-6-11-23)29-24(28(25)38)12-7-14-32-29/h1-18H,19-20H2,(H,34,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100609
(US8501732, I-169)Show SMILES COC(=O)c1c(CNC(=O)c2ccc(nc2)N2CCOCC2)c(=O)c2ccc(F)cc2n1-c1ccccc1 Show InChI InChI=1S/C28H25FN4O5/c1-37-28(36)25-22(17-31-27(35)18-7-10-24(30-16-18)32-11-13-38-14-12-32)26(34)21-9-8-19(29)15-23(21)33(25)20-5-3-2-4-6-20/h2-10,15-16H,11-14,17H2,1H3,(H,31,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100550
(US8501732, I-110)Show SMILES COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2cnco2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C28H20ClN3O5/c1-36-28(35)25-22(14-31-27(34)18-9-7-17(8-10-18)24-15-30-16-37-24)26(33)21-12-11-19(29)13-23(21)32(25)20-5-3-2-4-6-20/h2-13,15-16H,14H2,1H3,(H,31,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100551
(US8501732, I-111)Show SMILES COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2nnc[nH]2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C27H20ClN5O4/c1-37-27(36)23-21(14-29-26(35)17-9-7-16(8-10-17)25-30-15-31-32-25)24(34)20-12-11-18(28)13-22(20)33(23)19-5-3-2-4-6-19/h2-13,15H,14H2,1H3,(H,29,35)(H,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100573
(US8501732, I-133)Show SMILES COC(=O)c1ccc(cc1)C(=O)NCc1c(C(=O)OC)n(-c2ccccc2)c2cc(Cl)ccc2c1=O Show InChI InChI=1S/C27H21ClN2O6/c1-35-26(33)17-10-8-16(9-11-17)25(32)29-15-21-23(27(34)36-2)30(19-6-4-3-5-7-19)22-14-18(28)12-13-20(22)24(21)31/h3-14H,15H2,1-2H3,(H,29,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100552
(US8501732, I-112)Show SMILES COC(=O)c1c(CNC(=O)c2ccc(nc2)N2CCOCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C28H25ClN4O5/c1-37-28(36)25-22(17-31-27(35)18-7-10-24(30-16-18)32-11-13-38-14-12-32)26(34)21-9-8-19(29)15-23(21)33(25)20-5-3-2-4-6-20/h2-10,15-16H,11-14,17H2,1H3,(H,31,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100553
(US8501732, I-113)Show SMILES COC(=O)c1c(CNC(=O)c2ccc3scnc3c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C26H18ClN3O4S/c1-34-26(33)23-19(13-28-25(32)15-7-10-22-20(11-15)29-14-35-22)24(31)18-9-8-16(27)12-21(18)30(23)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H,28,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100554
(US8501732, I-114)Show SMILES COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2ncc[nH]2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C28H21ClN4O4/c1-37-28(36)24-22(16-32-27(35)18-9-7-17(8-10-18)26-30-13-14-31-26)25(34)21-12-11-19(29)15-23(21)33(24)20-5-3-2-4-6-20/h2-15H,16H2,1H3,(H,30,31)(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100448
(US8501732, I-12)Show SMILES OCC1CCN(CC1)c1ccc(cn1)C(=O)NCc1c(-c2ncco2)n(-c2ccccc2)c2ncccc2c1=O Show InChI InChI=1S/C30H28N6O4/c37-19-20-10-14-35(15-11-20)25-9-8-21(17-33-25)29(39)34-18-24-26(30-32-13-16-40-30)36(22-5-2-1-3-6-22)28-23(27(24)38)7-4-12-31-28/h1-9,12-13,16-17,20,37H,10-11,14-15,18-19H2,(H,34,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100438
(US8501732, I-2)Show SMILES Clc1ccc2c(c1)n(-c1ccccc1)c(-c1ncco1)c(CNC(=O)c1ccnc(c1)N1CCOCC1)c2=O Show InChI InChI=1S/C29H24ClN5O4/c30-20-6-7-22-24(17-20)35(21-4-2-1-3-5-21)26(29-32-10-13-39-29)23(27(22)36)18-33-28(37)19-8-9-31-25(16-19)34-11-14-38-15-12-34/h1-10,13,16-17H,11-12,14-15,18H2,(H,33,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100574
(US8501732, I-134)Show SMILES COC(=O)c1c(CNC(=O)c2ccc(OC)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C26H21ClN2O5/c1-33-19-11-8-16(9-12-19)25(31)28-15-21-23(26(32)34-2)29(18-6-4-3-5-7-18)22-14-17(27)10-13-20(22)24(21)30/h3-14H,15H2,1-2H3,(H,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100555
(US8501732, I-115)Show SMILES COC(=O)c1c(CNC(=O)c2ccc(cc2)S(N)(=O)=O)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C25H20ClN3O6S/c1-35-25(32)22-20(14-28-24(31)15-7-10-18(11-8-15)36(27,33)34)23(30)19-12-9-16(26)13-21(19)29(22)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,28,31)(H2,27,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100575
(US8501732, I-135)Show SMILES COC(=O)c1c(CNC(=O)c2cccc(OC)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C26H21ClN2O5/c1-33-19-10-6-7-16(13-19)25(31)28-15-21-23(26(32)34-2)29(18-8-4-3-5-9-18)22-14-17(27)11-12-20(22)24(21)30/h3-14H,15H2,1-2H3,(H,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100556
(US8501732, I-116)Show SMILES COC(=O)c1c(CNC(=O)c2cnc(s2)N2CCOCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C26H23ClN4O5S/c1-35-25(34)22-19(14-28-24(33)21-15-29-26(37-21)30-9-11-36-12-10-30)23(32)18-8-7-16(27)13-20(18)31(22)17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,28,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100439
(US8501732, I-3)Show SMILES Clc1ccc2c(c1)n(-c1ccccc1)c(-c1ncco1)c(CNC(=O)c1ccc(nc1)N1CCOCC1)c2=O Show InChI InChI=1S/C29H24ClN5O4/c30-20-7-8-22-24(16-20)35(21-4-2-1-3-5-21)26(29-31-10-13-39-29)23(27(22)36)18-33-28(37)19-6-9-25(32-17-19)34-11-14-38-15-12-34/h1-10,13,16-17H,11-12,14-15,18H2,(H,33,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100610
(US8501732, I-170)Show SMILES COC(=O)c1c(CNC(=O)c2ccc(Cl)nc2)c(=O)c2ccc(F)cc2n1-c1ccccc1 Show InChI InChI=1S/C24H17ClFN3O4/c1-33-24(32)21-18(13-28-23(31)14-7-10-20(25)27-12-14)22(30)17-9-8-15(26)11-19(17)29(21)16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100557
(US8501732, I-117)Show SMILES COC(=O)c1c(CNC(=O)c2ccc(cc2)C(N)=O)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C26H20ClN3O5/c1-35-26(34)22-20(14-29-25(33)16-9-7-15(8-10-16)24(28)32)23(31)19-12-11-17(27)13-21(19)30(22)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H2,28,32)(H,29,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100502
(US8501732, I-62)Show SMILES CC(C)(C)OC(=O)N1CC2CC1CN2c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O |THB:5:7:12.13:10,14:13:7.8:10| Show InChI InChI=1S/C32H32ClN5O4/c1-32(2,3)42-31(41)38-19-24-14-25(38)18-37(24)28-12-9-20(15-34-28)30(40)35-16-21-17-36(23-7-5-4-6-8-23)27-13-22(33)10-11-26(27)29(21)39/h4-13,15,17,24-25H,14,16,18-19H2,1-3H3,(H,35,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100558
(US8501732, I-118)Show SMILES CNC(=O)c1ccc(cc1)C(=O)NCc1c(C(=O)OC)n(-c2ccccc2)c2cc(Cl)ccc2c1=O Show InChI InChI=1S/C27H22ClN3O5/c1-29-25(33)16-8-10-17(11-9-16)26(34)30-15-21-23(27(35)36-2)31(19-6-4-3-5-7-19)22-14-18(28)12-13-20(22)24(21)32/h3-14H,15H2,1-2H3,(H,29,33)(H,30,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100576
(US8501732, I-136)Show SMILES COC(=O)c1c(CNC(=O)c2ccncc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C24H18ClN3O4/c1-32-24(31)21-19(14-27-23(30)15-9-11-26-12-10-15)22(29)18-8-7-16(25)13-20(18)28(21)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100590
(US8501732, I-150)Show SMILES COC(=O)c1c(CNC(=O)c2ccccc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C25H19ClN2O4/c1-32-25(31)22-20(15-27-24(30)16-8-4-2-5-9-16)23(29)19-13-12-17(26)14-21(19)28(22)18-10-6-3-7-11-18/h2-14H,15H2,1H3,(H,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100577
(US8501732, I-137)Show SMILES COC(=O)c1c(CNC(=O)c2ccc(F)c(F)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C25H17ClF2N2O4/c1-34-25(33)22-18(13-29-24(32)14-7-10-19(27)20(28)11-14)23(31)17-9-8-15(26)12-21(17)30(22)16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,29,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100559
(US8501732, I-119)Show SMILES COC(=O)c1c(CNC(=O)c2cnn(Cc3ccccc3)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C29H23ClN4O4/c1-38-29(37)26-24(16-31-28(36)20-15-32-33(18-20)17-19-8-4-2-5-9-19)27(35)23-13-12-21(30)14-25(23)34(26)22-10-6-3-7-11-22/h2-15,18H,16-17H2,1H3,(H,31,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100469
(US8501732, I-29)Show SMILES Clc1ccc2c(c1)n(cc(CNC(=O)c1ccn(Cc3ccccc3)c(=O)c1)c2=O)-c1ccccc1 Show InChI InChI=1S/C29H22ClN3O3/c30-23-11-12-25-26(16-23)33(24-9-5-2-6-10-24)19-22(28(25)35)17-31-29(36)21-13-14-32(27(34)15-21)18-20-7-3-1-4-8-20/h1-16,19H,17-18H2,(H,31,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100579
(US8501732, I-139)Show SMILES COC(=O)c1c(CNC(=O)c2cccnc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C24H18ClN3O4/c1-32-24(31)21-19(14-27-23(30)15-6-5-11-26-13-15)22(29)18-10-9-16(25)12-20(18)28(21)17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100578
(US8501732, I-138)Show SMILES COC(=O)c1c(CNC(=O)c2cccc(F)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C25H18ClFN2O4/c1-33-25(32)22-20(14-28-24(31)15-6-5-7-17(27)12-15)23(30)19-11-10-16(26)13-21(19)29(22)18-8-3-2-4-9-18/h2-13H,14H2,1H3,(H,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100580
(US8501732, I-140)Show SMILES COC(=O)c1c(CNC(=O)c2ccc(F)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C25H18ClFN2O4/c1-33-25(32)22-20(14-28-24(31)15-7-10-17(27)11-8-15)23(30)19-12-9-16(26)13-21(19)29(22)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100443
(US8501732, I-7)Show SMILES Clc1ccc2c(c1)n(-c1ccccc1)c(-c1ncco1)c(CNC(=O)c1ccc(nc1)N1CCCCC1)c2=O Show InChI InChI=1S/C30H26ClN5O3/c31-21-10-11-23-25(17-21)36(22-7-3-1-4-8-22)27(30-32-13-16-39-30)24(28(23)37)19-34-29(38)20-9-12-26(33-18-20)35-14-5-2-6-15-35/h1,3-4,7-13,16-18H,2,5-6,14-15,19H2,(H,34,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100440
(US8501732, I-4)Show SMILES NC(=O)c1ccc(cc1)C(=O)NCc1c(-c2ncco2)n(-c2ccccc2)c2cc(Cl)ccc2c1=O Show InChI InChI=1S/C27H19ClN4O4/c28-18-10-11-20-22(14-18)32(19-4-2-1-3-5-19)23(27-30-12-13-36-27)21(24(20)33)15-31-26(35)17-8-6-16(7-9-17)25(29)34/h1-14H,15H2,(H2,29,34)(H,31,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100560
(US8501732, I-120)Show SMILES COC(=O)c1c(CNC(=O)c2ccc3cc[nH]c3c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C27H20ClN3O4/c1-35-27(34)24-21(15-30-26(33)17-8-7-16-11-12-29-22(16)13-17)25(32)20-10-9-18(28)14-23(20)31(24)19-5-3-2-4-6-19/h2-14,29H,15H2,1H3,(H,30,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100561
(US8501732, I-121)Show SMILES COC(=O)c1c(CNC(=O)c2cnn(C)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C23H19ClN4O4/c1-27-13-14(11-26-27)22(30)25-12-18-20(23(31)32-2)28(16-6-4-3-5-7-16)19-10-15(24)8-9-17(19)21(18)29/h3-11,13H,12H2,1-2H3,(H,25,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100581
(US8501732, I-141)Show SMILES COC(=O)c1c(CNC(=O)c2ccc(F)c(Cl)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C25H17Cl2FN2O4/c1-34-25(33)22-18(13-29-24(32)14-7-10-20(28)19(27)11-14)23(31)17-9-8-15(26)12-21(17)30(22)16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,29,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100572
(US8501732, I-132)Show SMILES COC(=O)c1c(CNC(=O)c2ccc(Cl)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C25H18Cl2N2O4/c1-33-25(32)22-20(14-28-24(31)15-7-9-16(26)10-8-15)23(30)19-12-11-17(27)13-21(19)29(22)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100562
(US8501732, I-122)Show SMILES COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2cc[nH]n2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C28H21ClN4O4/c1-37-28(36)25-22(16-30-27(35)18-9-7-17(8-10-18)23-13-14-31-32-23)26(34)21-12-11-19(29)15-24(21)33(25)20-5-3-2-4-6-20/h2-15H,16H2,1H3,(H,30,35)(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100531
(US8501732, I-91)Show SMILES Clc1ccc2c(c1)n(cc(CNC(=O)c1cnc(s1)N1CCCCC1)c2=O)-c1ccccc1 Show InChI InChI=1S/C25H23ClN4O2S/c26-18-9-10-20-21(13-18)30(19-7-3-1-4-8-19)16-17(23(20)31)14-27-24(32)22-15-28-25(33-22)29-11-5-2-6-12-29/h1,3-4,7-10,13,15-16H,2,5-6,11-12,14H2,(H,27,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100563
(US8501732, I-123)Show SMILES COC(=O)c1c(CNC(=O)c2ccc(cc2)N2CCOCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C29H26ClN3O5/c1-37-29(36)26-24(18-31-28(35)19-7-10-21(11-8-19)32-13-15-38-16-14-32)27(34)23-12-9-20(30)17-25(23)33(26)22-5-3-2-4-6-22/h2-12,17H,13-16,18H2,1H3,(H,31,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100564
(US8501732, I-124)Show SMILES COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2cnns2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C27H19ClN4O4S/c1-36-27(35)24-21(14-29-26(34)17-9-7-16(8-10-17)23-15-30-31-37-23)25(33)20-12-11-18(28)13-22(20)32(24)19-5-3-2-4-6-19/h2-13,15H,14H2,1H3,(H,29,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100503
(US8501732, I-63)Show SMILES OCCC1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O Show InChI InChI=1S/C29H29ClN4O3/c30-23-7-8-25-26(16-23)34(24-4-2-1-3-5-24)19-22(28(25)36)18-32-29(37)21-6-9-27(31-17-21)33-13-10-20(11-14-33)12-15-35/h1-9,16-17,19-20,35H,10-15,18H2,(H,32,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100582
(US8501732, I-142)Show SMILES COC(=O)c1c(CNC(=O)c2cccc(Cl)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C25H18Cl2N2O4/c1-33-25(32)22-20(14-28-24(31)15-6-5-7-16(26)12-15)23(30)19-11-10-17(27)13-21(19)29(22)18-8-3-2-4-9-18/h2-13H,14H2,1H3,(H,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100592
(US8501732, I-152)Show SMILES COC(=O)c1c(CNC(=O)c2ccc(nc2)N2CCOCC2)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C28H24F3N5O5/c1-40-27(39)23-20(16-33-26(38)17-7-10-22(32-15-17)35-11-13-41-14-12-35)24(37)19-8-9-21(28(29,30)31)34-25(19)36(23)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H,33,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100504
(US8501732, I-64)Show SMILES OCCN(CCO)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O Show InChI InChI=1S/C26H25ClN4O4/c27-20-7-8-22-23(14-20)31(21-4-2-1-3-5-21)17-19(25(22)34)16-29-26(35)18-6-9-24(28-15-18)30(10-12-32)11-13-33/h1-9,14-15,17,32-33H,10-13,16H2,(H,29,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100470
(US8501732, I-30)Show SMILES Cn1cc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O Show InChI InChI=1S/C21H17ClN4O2/c1-25-12-15(11-24-25)21(28)23-10-14-13-26(17-5-3-2-4-6-17)19-9-16(22)7-8-18(19)20(14)27/h2-9,11-13H,10H2,1H3,(H,23,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100506
(US8501732, I-66)Show SMILES CN(CCO)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O Show InChI InChI=1S/C25H23ClN4O3/c1-29(11-12-31)23-10-7-17(14-27-23)25(33)28-15-18-16-30(20-5-3-2-4-6-20)22-13-19(26)8-9-21(22)24(18)32/h2-10,13-14,16,31H,11-12,15H2,1H3,(H,28,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100505
(US8501732, I-65)Show SMILES Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(nc1)N1CCCCC1)c2=O)-c1ccccc1 Show InChI InChI=1S/C27H25ClN4O2/c28-21-10-11-23-24(15-21)32(22-7-3-1-4-8-22)18-20(26(23)33)17-30-27(34)19-9-12-25(29-16-19)31-13-5-2-6-14-31/h1,3-4,7-12,15-16,18H,2,5-6,13-14,17H2,(H,30,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100507
(US8501732, I-67)Show SMILES OCC1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O Show InChI InChI=1S/C28H27ClN4O3/c29-22-7-8-24-25(14-22)33(23-4-2-1-3-5-23)17-21(27(24)35)16-31-28(36)20-6-9-26(30-15-20)32-12-10-19(18-34)11-13-32/h1-9,14-15,17,19,34H,10-13,16,18H2,(H,31,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100532
(US8501732, I-92)Show SMILES CS(=O)(=O)C1CCN(CC1)c1ncc(s1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O Show InChI InChI=1S/C26H25ClN4O4S2/c1-37(34,35)20-9-11-30(12-10-20)26-29-15-23(36-26)25(33)28-14-17-16-31(19-5-3-2-4-6-19)22-13-18(27)7-8-21(22)24(17)32/h2-8,13,15-16,20H,9-12,14H2,1H3,(H,28,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100508
(US8501732, I-68)Show SMILES Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(nc1)N1CCCCCC1)c2=O)-c1ccccc1 Show InChI InChI=1S/C28H27ClN4O2/c29-22-11-12-24-25(16-22)33(23-8-4-3-5-9-23)19-21(27(24)34)18-31-28(35)20-10-13-26(30-17-20)32-14-6-1-2-7-15-32/h3-5,8-13,16-17,19H,1-2,6-7,14-15,18H2,(H,31,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM100565
(US8501732, I-125)Show SMILES COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2noc(C)n2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C28H21ClN4O5/c1-16-31-26(32-38-16)17-8-10-18(11-9-17)27(35)30-15-22-24(28(36)37-2)33(20-6-4-3-5-7-20)23-14-19(29)12-13-21(23)25(22)34/h3-14H,15H2,1-2H3,(H,30,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
In vitro JNK1 assay. |
US Patent US8501732 (2013)
BindingDB Entry DOI: 10.7270/Q2RF5SP9 |
More data for this
Ligand-Target Pair | |
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