BindingDB logo
myBDB logout

PubMed code 23751758

Compile data set for download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM103909
PNG
(JNK3 inhibitor 6 | US8562945, 242)
Show SMILES NOOSc1ccc(CC[N@@]23CC(=O)O[Re]2[N]2=C(C3)C=CC=C2)cc1 |r,c:17,21,23|
Show InChI InChI=1S/C16H19N3O4S.Re/c17-22-23-24-15-6-4-13(5-7-15)8-10-19(12-16(20)21)11-14-3-1-2-9-18-14;/h1-7,9H,8,10-12,17H2,(H,20,21);/q;+1/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 11.6n/an/an/an/an/an/a



The Scripps Research Institute





ACS Chem Biol 8: 1747-54 (2013)


Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM103904
PNG
(JNK3 inhibitor 1 | US8563583, A-33)
Show SMILES COc1cc(ccc1OCC(C)(C)O)-n1ccc(CNc2ccc(Cl)cc2)cc1=O
Show InChI InChI=1S/C23H25ClN2O4/c1-23(2,28)15-30-20-9-8-19(13-21(20)29-3)26-11-10-16(12-22(26)27)14-25-18-6-4-17(24)5-7-18/h4-13,25,28H,14-15H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 37.8n/an/an/an/an/an/a



The Scripps Research Institute





ACS Chem Biol 8: 1747-54 (2013)


Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM103908
PNG
(JNK3 inhibitor 5 | US8562945, 241)
Show SMILES NOOSc1ccc(CC[N]23CC4=CC=CC=[N]4[Re+]2[N]2=C(C3)C=CC=C2)cc1 |c:14,16,21,25,27,t:12|
Show InChI InChI=1S/C20H22N4O2S.Re/c21-25-26-27-20-9-7-17(8-10-20)11-14-24(15-18-5-1-3-12-22-18)16-19-6-2-4-13-23-19;/h1-10,12-13H,11,14-16,21H2;/q;+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 63.4n/an/an/an/an/an/a



The Scripps Research Institute





ACS Chem Biol 8: 1747-54 (2013)


Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM16018
PNG
(14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...)
Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
Article
PubMed
n/an/a 68n/an/an/an/an/an/a



The Scripps Research Institute





ACS Chem Biol 8: 1747-54 (2013)


Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM103909
PNG
(JNK3 inhibitor 6 | US8562945, 242)
Show SMILES NOOSc1ccc(CC[N@@]23CC(=O)O[Re]2[N]2=C(C3)C=CC=C2)cc1 |r,c:17,21,23|
Show InChI InChI=1S/C16H19N3O4S.Re/c17-22-23-24-15-6-4-13(5-7-15)8-10-19(12-16(20)21)11-14-3-1-2-9-18-14;/h1-7,9H,8,10-12,17H2,(H,20,21);/q;+1/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 109n/an/an/an/an/an/a



The Scripps Research Institute





ACS Chem Biol 8: 1747-54 (2013)


Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM103910
PNG
(JNK3 inhibitor 7 | US8562945, 243)
Show SMILES CN1C=C[N]2=C1C[N]1(CCc3ccc(SOON)cc3)CC3=[N](C=CN3C)[Re+]21 |c:2,4,25,t:23|
Show InChI InChI=1S/C18H24N6O2S.Re/c1-22-11-8-20-17(22)13-24(14-18-21-9-12-23(18)2)10-7-15-3-5-16(6-4-15)27-26-25-19;/h3-6,8-9,11-12H,7,10,13-14,19H2,1-2H3;/q;+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 127n/an/an/an/an/an/a



The Scripps Research Institute





ACS Chem Biol 8: 1747-54 (2013)


Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM103905
PNG
(JNK3 inhibitor 2 | US8563583, C-1)
Show SMILES COc1cc(ccc1OCCO)-n1ccc(cc1=O)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H18F3NO5/c1-28-19-13-16(4-7-18(19)29-11-10-26)25-9-8-15(12-20(25)27)14-2-5-17(6-3-14)30-21(22,23)24/h2-9,12-13,26H,10-11H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 136n/an/an/an/an/an/a



The Scripps Research Institute





ACS Chem Biol 8: 1747-54 (2013)


Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM103907
PNG
(JNK3 inhibitor 4 | US8563583, D-4)
Show SMILES COc1cc(ccc1OCC(C)(C)O)-n1ccc(SCc2ccc(Cl)cc2)cc1=O
Show InChI InChI=1S/C23H24ClNO4S/c1-23(2,27)15-29-20-9-8-18(12-21(20)28-3)25-11-10-19(13-22(25)26)30-14-16-4-6-17(24)7-5-16/h4-13,27H,14-15H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 147n/an/an/an/an/an/a



The Scripps Research Institute





ACS Chem Biol 8: 1747-54 (2013)


Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM103910
PNG
(JNK3 inhibitor 7 | US8562945, 243)
Show SMILES CN1C=C[N]2=C1C[N]1(CCc3ccc(SOON)cc3)CC3=[N](C=CN3C)[Re+]21 |c:2,4,25,t:23|
Show InChI InChI=1S/C18H24N6O2S.Re/c1-22-11-8-20-17(22)13-24(14-18-21-9-12-23(18)2)10-7-15-3-5-16(6-4-15)27-26-25-19;/h3-6,8-9,11-12H,7,10,13-14,19H2,1-2H3;/q;+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 155n/an/an/an/an/an/a



The Scripps Research Institute





ACS Chem Biol 8: 1747-54 (2013)


Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM103906
PNG
(JNK3 inhibitor 3 | US8563583, B-2)
Show SMILES COc1cc(ccc1OCC(C)(C)O)-n1ccc(cc1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F3NO4/c1-22(2,29)14-31-19-9-8-18(13-20(19)30-3)27-11-10-16(12-21(27)28)15-4-6-17(7-5-15)23(24,25)26/h4-13,29H,14H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 158n/an/an/an/an/an/a



The Scripps Research Institute





ACS Chem Biol 8: 1747-54 (2013)


Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM103908
PNG
(JNK3 inhibitor 5 | US8562945, 241)
Show SMILES NOOSc1ccc(CC[N]23CC4=CC=CC=[N]4[Re+]2[N]2=C(C3)C=CC=C2)cc1 |c:14,16,21,25,27,t:12|
Show InChI InChI=1S/C20H22N4O2S.Re/c21-25-26-27-20-9-7-17(8-10-20)11-14-24(15-18-5-1-3-12-22-18)16-19-6-2-4-13-23-19;/h1-10,12-13H,11,14-16,21H2;/q;+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 164n/an/an/an/an/an/a



The Scripps Research Institute





ACS Chem Biol 8: 1747-54 (2013)


Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM16018
PNG
(14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...)
Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
Article
PubMed
n/an/a 220n/an/an/an/an/an/a



The Scripps Research Institute





ACS Chem Biol 8: 1747-54 (2013)


Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM103906
PNG
(JNK3 inhibitor 3 | US8563583, B-2)
Show SMILES COc1cc(ccc1OCC(C)(C)O)-n1ccc(cc1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F3NO4/c1-22(2,29)14-31-19-9-8-18(13-20(19)30-3)27-11-10-16(12-21(27)28)15-4-6-17(7-5-15)23(24,25)26/h4-13,29H,14H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 318n/an/an/an/an/an/a



The Scripps Research Institute





ACS Chem Biol 8: 1747-54 (2013)


Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM103907
PNG
(JNK3 inhibitor 4 | US8563583, D-4)
Show SMILES COc1cc(ccc1OCC(C)(C)O)-n1ccc(SCc2ccc(Cl)cc2)cc1=O
Show InChI InChI=1S/C23H24ClNO4S/c1-23(2,27)15-29-20-9-8-18(12-21(20)28-3)25-11-10-19(13-22(25)26)30-14-16-4-6-17(24)7-5-16/h4-13,27H,14-15H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 685n/an/an/an/an/an/a



The Scripps Research Institute





ACS Chem Biol 8: 1747-54 (2013)


Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM103911
PNG
(JNK3 inhibitor 8 | US8562945, 246)
Show SMILES NOOSc1ccc(NC(=S)NCCCCCCCC[N]23CC4=CC=CC=[N]4[Re+]2[N]2=C(C3)C=CC=C2)cc1 |c:24,26,31,35,37,t:22|
Show InChI InChI=1S/C27H36N6O2S2.Re/c28-34-35-37-26-15-13-23(14-16-26)32-27(36)31-19-7-3-1-2-4-10-20-33(21-24-11-5-8-17-29-24)22-25-12-6-9-18-30-25;/h5-6,8-9,11-18H,1-4,7,10,19-22,28H2,(H2,31,32,36);/q;+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.15E+3n/an/an/an/an/an/a



The Scripps Research Institute





ACS Chem Biol 8: 1747-54 (2013)


Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%