Found 35 hits of Enzyme Inhibition Constant Data 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 14
(Homo sapiens (Human)) | BDBM236615
(US9388136, Table 1, Compound 1:tert-Butyl N-(2-{4-...)Show SMILES C[C@H](NCCc1cc(F)c(c(F)c1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC(C)(C)C |r,wD:1.0,(6.67,-.38,;6.67,1.15,;5.33,1.93,;4,1.15,;2.67,1.93,;1.33,1.15,;,1.93,;-1.33,1.15,;-2.67,1.93,;-1.33,-.38,;,-1.15,;,-2.69,;1.33,-.38,;-2.67,-1.15,;-4,-.38,;-4,1.15,;-5.33,-1.15,;-5.33,-2.69,;-4,-3.47,;-2.67,-2.69,;-1.33,-3.47,;-6.67,-.38,;-6.67,1.15,;-8,-1.15,;-9.34,-.38,;-10.67,-1.15,;-10.67,-2.69,;-12,-3.47,;-9.34,-3.47,;-8,-2.69,;-6.67,-3.47,;8,1.93,;8,3.47,;9.34,1.15,;10.67,1.93,;12,1.15,;10.67,3.47,;11.07,.44,)| Show InChI InChI=1S/C27H27F4N3O4/c1-14(26(37)38-27(2,3)4)33-10-9-15-11-20(30)23(21(31)12-15)34-22(35)8-7-18(25(34)32)24(36)17-6-5-16(28)13-19(17)29/h5-8,11-14,33H,9-10,32H2,1-4H3/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236623
(US9388136, Table 1, Compound 15:tert-butyl N-(2- {...)Show SMILES CC(C)C[C@H](NCCc1cc(F)c(c(F)c1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC(C)(C)C |r,wD:4.4,(6,-2.69,;6,-1.15,;4.67,-.38,;7.34,-.38,;7.34,1.15,;6,1.93,;4.67,1.15,;3.33,1.93,;2,1.15,;.67,1.93,;-.67,1.15,;-2,1.93,;-.67,-.38,;.67,-1.15,;.67,-2.69,;2,-.38,;-2,-1.15,;-3.33,-.38,;-3.33,1.15,;-4.67,-1.15,;-4.67,-2.69,;-3.33,-3.47,;-2,-2.69,;-.67,-3.47,;-6,-.38,;-6,1.15,;-7.34,-1.15,;-7.34,-2.69,;-8.67,-3.47,;-10,-2.69,;-11.34,-3.47,;-10,-1.15,;-8.67,-.38,;-8.67,1.15,;8.67,1.93,;8.67,3.47,;10,1.15,;10,-.38,;11.34,-1.15,;8.67,-1.15,;10,-1.93,)| Show InChI InChI=1S/C30H33F4N3O4/c1-16(2)12-24(29(40)41-30(3,4)5)36-11-10-17-13-22(33)26(23(34)14-17)37-25(38)9-8-20(28(37)35)27(39)19-7-6-18(31)15-21(19)32/h6-9,13-16,24,36H,10-12,35H2,1-5H3/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236631
(US9388136, Table 1, Compound 23:Cyclopentyl N- (2-...)Show SMILES CC(C)(C)OC[C@H](NCCc1cc(F)c(c(F)c1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC1CCCC1 |r,wD:6.6,(5.94,-2.93,;7.48,-2.93,;8.82,-2.16,;8.82,-3.7,;7.48,-1.39,;6.15,-.62,;6.15,.92,;4.82,1.69,;3.48,.92,;2.15,1.69,;.82,.92,;-.52,1.69,;-1.85,.92,;-3.19,1.69,;-1.85,-.62,;-.52,-1.39,;-.52,-2.93,;.82,-.62,;-3.19,-1.39,;-4.52,-.62,;-4.52,.92,;-5.85,-1.39,;-5.85,-2.93,;-4.52,-3.7,;-3.19,-2.93,;-1.85,-3.7,;-7.19,-.62,;-7.19,.92,;-8.52,-1.39,;-8.52,-2.93,;-9.85,-3.7,;-11.19,-2.93,;-12.52,-3.7,;-11.19,-1.39,;-9.85,-.62,;-9.85,.92,;7.48,1.69,;7.48,3.23,;8.82,.92,;10.15,1.69,;11.62,1.21,;12.52,2.46,;11.62,3.7,;10.15,3.23,)| Show InChI InChI=1S/C32H35F4N3O5/c1-32(2,3)43-17-26(31(42)44-20-6-4-5-7-20)38-13-12-18-14-24(35)28(25(36)15-18)39-27(40)11-10-22(30(39)37)29(41)21-9-8-19(33)16-23(21)34/h8-11,14-16,20,26,38H,4-7,12-13,17,37H2,1-3H3/t26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236619
(US9388136, Table 1, Compound 11:Cyclopentyl (2S)-4...)Show SMILES NCC[C@H](NCCCOc1cc(F)c(c(F)c1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC1CCCC1 |r,wD:3.3,(8.82,-2.93,;8.82,-1.39,;7.48,-.62,;7.48,.92,;6.15,1.69,;4.82,.92,;3.48,1.69,;2.15,.92,;.82,1.69,;-.52,.92,;-1.85,1.69,;-3.19,.92,;-4.52,1.69,;-3.19,-.62,;-1.85,-1.39,;-1.85,-2.93,;-.52,-.62,;-4.52,-1.39,;-5.85,-.62,;-5.85,.92,;-7.19,-1.39,;-7.19,-2.93,;-5.85,-3.7,;-4.52,-2.93,;-3.19,-3.7,;-8.52,-.62,;-8.52,.92,;-9.85,-1.39,;-11.19,-.62,;-12.52,-1.39,;-12.52,-2.93,;-13.86,-3.7,;-11.19,-3.7,;-9.85,-2.93,;-8.52,-3.7,;8.82,1.69,;8.82,3.23,;10.15,.92,;11.49,1.69,;12.95,1.21,;13.86,2.46,;12.95,3.7,;11.49,3.23,)| Show InChI InChI=1S/C30H32F4N4O5/c31-17-6-7-20(22(32)14-17)28(40)21-8-9-26(39)38(29(21)36)27-23(33)15-19(16-24(27)34)42-13-3-12-37-25(10-11-35)30(41)43-18-4-1-2-5-18/h6-9,14-16,18,25,37H,1-5,10-13,35-36H2/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236625
(US9388136, Table 1, Compound 17:cyclopentyl N-(2- ...)Show SMILES CC(C)C[C@H](NCCc1cc(F)c(c(F)c1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC1CCCC1 |r,wD:4.4,(4.82,-2.93,;4.82,-1.39,;3.48,-.62,;6.15,-.62,;6.15,.92,;4.82,1.69,;3.48,.92,;2.15,1.69,;.82,.92,;-.52,1.69,;-1.85,.92,;-3.19,1.69,;-1.85,-.62,;-.52,-1.39,;-.52,-2.93,;.82,-.62,;-3.19,-1.39,;-4.52,-.62,;-4.52,.92,;-5.85,-1.39,;-5.85,-2.93,;-4.52,-3.7,;-3.19,-2.93,;-1.85,-3.7,;-7.19,-.62,;-7.19,.92,;-8.52,-1.39,;-9.85,-.62,;-11.19,-1.39,;-11.19,-2.93,;-12.52,-3.7,;-9.85,-3.7,;-8.52,-2.93,;-7.19,-3.7,;7.48,1.69,;7.48,3.23,;8.82,.92,;10.15,1.69,;11.62,1.21,;12.52,2.46,;11.62,3.7,;10.15,3.23,)| Show InChI InChI=1S/C31H33F4N3O4/c1-17(2)13-26(31(41)42-20-5-3-4-6-20)37-12-11-18-14-24(34)28(25(35)15-18)38-27(39)10-9-22(30(38)36)29(40)21-8-7-19(32)16-23(21)33/h7-10,14-17,20,26,37H,3-6,11-13,36H2,1-2H3/t26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236632
(US9388136, Table 1, Compound 24:tert-butyl N-(2- {...)Show SMILES CC(C)(C)OC[C@H](NCCc1cc(F)c(c(F)c1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC(C)(C)C |r,wD:6.6,(3.85,-1.64,;5.18,-2.41,;3.85,-3.18,;5.95,-3.75,;5.18,-.87,;6.51,-.1,;6.51,1.44,;5.18,2.21,;3.85,1.44,;2.51,2.21,;1.18,1.44,;-.15,2.21,;-1.49,1.44,;-2.82,2.21,;-1.49,-.1,;-.15,-.87,;-.15,-2.41,;1.18,-.1,;-2.82,-.87,;-4.15,-.1,;-4.15,1.44,;-5.49,-.87,;-5.49,-2.41,;-4.15,-3.18,;-2.82,-2.41,;-1.49,-3.18,;-6.82,-.1,;-6.82,1.44,;-8.16,-.87,;-8.16,-2.41,;-9.49,-3.18,;-10.82,-2.41,;-12.16,-3.18,;-10.82,-.87,;-9.49,-.1,;-9.49,1.44,;7.85,2.21,;7.85,3.75,;9.18,1.44,;10.67,1.84,;11.07,3.32,;11.76,.75,;12.16,2.23,)| Show InChI InChI=1S/C31H35F4N3O5/c1-30(2,3)42-16-24(29(41)43-31(4,5)6)37-12-11-17-13-22(34)26(23(35)14-17)38-25(39)10-9-20(28(38)36)27(40)19-8-7-18(32)15-21(19)33/h7-10,13-15,24,37H,11-12,16,36H2,1-6H3/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236630
(US9388136, Table 1, Compound 22:tert-butyl (2S)- [...)Show SMILES CC(C)(C)OC(=O)[C@@H](NCCc1cc(F)c(c(F)c1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)c1ccccc1 |r,wD:7.7,(10.99,3.41,;10.59,1.92,;10.99,.44,;12.08,1.53,;9.26,1.15,;7.93,1.93,;7.93,3.47,;6.59,1.15,;5.26,1.93,;3.92,1.15,;2.59,1.93,;1.26,1.15,;-.08,1.93,;-1.41,1.15,;-2.74,1.93,;-1.41,-.38,;-.08,-1.15,;-.08,-2.69,;1.26,-.38,;-2.74,-1.15,;-4.08,-.38,;-4.08,1.15,;-5.41,-1.15,;-5.41,-2.69,;-4.08,-3.47,;-2.74,-2.69,;-1.41,-3.47,;-6.75,-.38,;-6.75,1.15,;-8.08,-1.15,;-8.08,-2.69,;-9.41,-3.47,;-10.75,-2.69,;-12.08,-3.47,;-10.75,-1.15,;-9.41,-.38,;-9.41,1.15,;6.59,-.38,;5.26,-1.15,;5.26,-2.69,;6.59,-3.47,;7.93,-2.69,;7.93,-1.15,)| Show InChI InChI=1S/C32H29F4N3O4/c1-32(2,3)43-31(42)27(19-7-5-4-6-8-19)38-14-13-18-15-24(35)28(25(36)16-18)39-26(40)12-11-22(30(39)37)29(41)21-10-9-20(33)17-23(21)34/h4-12,15-17,27,38H,13-14,37H2,1-3H3/t27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236629
(US9388136, Table 1, Compound 21:Cyclopentyl (2S)- ...)Show SMILES Nc1c(ccc(=O)n1-c1c(F)cc(CCN[C@H](C(=O)OC2CCCC2)c2ccccc2)cc1F)C(=O)c1ccc(F)cc1F |r,wD:16.16,(-4.52,.92,;-4.52,-.62,;-5.85,-1.39,;-5.85,-2.93,;-4.52,-3.7,;-3.19,-2.93,;-1.85,-3.7,;-3.19,-1.39,;-1.85,-.62,;-1.85,.92,;-3.19,1.69,;-.52,1.69,;.82,.92,;2.15,1.69,;3.48,.92,;4.82,1.69,;6.15,.92,;7.48,1.69,;7.48,3.23,;8.82,.92,;10.15,1.69,;11.62,1.21,;12.52,2.46,;11.62,3.7,;10.15,3.23,;6.15,-.62,;4.82,-1.39,;4.82,-2.93,;6.15,-3.7,;7.48,-2.93,;7.48,-1.39,;.82,-.62,;-.52,-1.39,;-.52,-2.93,;-7.19,-.62,;-7.19,.92,;-8.52,-1.39,;-8.52,-2.93,;-9.85,-3.7,;-11.19,-2.93,;-12.52,-3.7,;-11.19,-1.39,;-9.85,-.62,;-9.85,.92,)| Show InChI InChI=1S/C33H29F4N3O4/c34-21-10-11-23(25(35)18-21)31(42)24-12-13-28(41)40(32(24)38)30-26(36)16-19(17-27(30)37)14-15-39-29(20-6-2-1-3-7-20)33(43)44-22-8-4-5-9-22/h1-3,6-7,10-13,16-18,22,29,39H,4-5,8-9,14-15,38H2/t29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236628
(US9388136, Table 1, Compound 20:Cyclopentyl N- (2-...)Show SMILES CC(C)C[C@H](NCCc1cc(F)c(c(F)c1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1)C(=O)OC1CCCC1 |r,wD:4.4,(4.82,-2.93,;4.82,-1.39,;3.48,-.62,;6.15,-.62,;6.15,.92,;4.82,1.69,;3.48,.92,;2.15,1.69,;.82,.92,;-.52,1.69,;-1.85,.92,;-3.19,1.69,;-1.85,-.62,;-.52,-1.39,;-.52,-2.93,;.82,-.62,;-3.19,-1.39,;-4.52,-.62,;-4.52,.92,;-5.85,-1.39,;-5.85,-2.93,;-4.52,-3.7,;-3.19,-2.93,;-1.85,-3.7,;-7.19,-.62,;-7.19,.92,;-8.52,-1.39,;-9.85,-.62,;-11.19,-1.39,;-11.19,-2.93,;-12.52,-3.7,;-9.85,-3.7,;-8.52,-2.93,;7.48,1.69,;7.48,3.23,;8.82,.92,;10.15,1.69,;11.62,1.21,;12.52,2.46,;11.62,3.7,;10.15,3.23,)| Show InChI InChI=1S/C31H34F3N3O4/c1-18(2)15-26(31(40)41-22-5-3-4-6-22)36-14-13-19-16-24(33)28(25(34)17-19)37-27(38)12-11-23(30(37)35)29(39)20-7-9-21(32)10-8-20/h7-12,16-18,22,26,36H,3-6,13-15,35H2,1-2H3/t26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236618
(US9388136, Table 1, Compound 5:tert-Butyl N-(5- {4...)Show SMILES CC(C)C[C@H](NCCCCCOc1cc(F)c(c(F)c1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC(C)(C)C |r,wD:4.4,(6.67,-.39,;8,-1.15,;8,-2.69,;9.34,-.39,;9.34,1.15,;8,1.92,;6.67,1.15,;5.33,1.92,;4,1.15,;2.67,1.92,;1.33,1.15,;,1.92,;-1.33,1.15,;-2.67,1.92,;-4,1.15,;-5.33,1.92,;-4,-.39,;-2.67,-1.15,;-2.67,-2.69,;-1.33,-.39,;-5.33,-1.15,;-6.67,-.39,;-6.67,1.15,;-8,-1.15,;-8,-2.69,;-6.67,-3.46,;-5.33,-2.69,;-4,-3.46,;-9.34,-.39,;-9.34,1.15,;-10.67,-1.15,;-12,-.39,;-13.34,-1.15,;-13.34,-2.69,;-14.67,-3.46,;-12,-3.46,;-10.67,-2.69,;-9.34,-3.46,;10.67,1.92,;10.67,3.46,;12,1.15,;13.34,1.92,;14.67,1.15,;13.34,3.46,;13.34,.39,)| Show InChI InChI=1S/C33H39F4N3O5/c1-19(2)15-27(32(43)45-33(3,4)5)39-13-7-6-8-14-44-21-17-25(36)29(26(37)18-21)40-28(41)12-11-23(31(40)38)30(42)22-10-9-20(34)16-24(22)35/h9-12,16-19,27,39H,6-8,13-15,38H2,1-5H3/t27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236624
(US9388136, Table 1, Compound 16:tert-butyl N-(2- {...)Show SMILES CC(C)C[C@@H](NCCc1cc(F)c(c(F)c1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC(C)(C)C |r,wU:4.4,(5.23,-2.69,;5.23,-1.15,;3.9,-.38,;6.57,-.38,;6.57,1.15,;5.23,1.93,;3.9,1.15,;2.56,1.93,;1.23,1.15,;-.1,1.93,;-1.44,1.15,;-2.77,1.93,;-1.44,-.38,;-.1,-1.15,;-.1,-2.69,;1.23,-.38,;-2.77,-1.15,;-4.1,-.38,;-4.1,1.15,;-5.44,-1.15,;-5.44,-2.69,;-4.1,-3.47,;-2.77,-2.69,;-1.44,-3.47,;-6.77,-.38,;-6.77,1.15,;-8.11,-1.15,;-8.11,-2.69,;-9.44,-3.47,;-10.77,-2.69,;-12.11,-3.47,;-10.77,-1.15,;-9.44,-.38,;-9.44,1.15,;7.9,1.93,;7.9,3.47,;9.23,1.15,;10.57,1.93,;12.11,1.93,;11.34,3.26,;11.34,.59,)| Show InChI InChI=1S/C30H33F4N3O4/c1-16(2)12-24(29(40)41-30(3,4)5)36-11-10-17-13-22(33)26(23(34)14-17)37-25(38)9-8-20(28(37)35)27(39)19-7-6-18(31)15-21(19)32/h6-9,13-16,24,36H,10-12,35H2,1-5H3/t24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236620
(US9388136, Table 1, Compound 12:Cyclopentyl N-(5-{...)Show SMILES CC(C)C[C@H](NCCCCCOc1cc(F)c(c(F)c1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC1CCCC1 |r,wD:4.4,(7.48,-2.93,;7.48,-1.39,;6.15,-.62,;8.82,-.62,;8.82,.92,;7.48,1.69,;6.15,.92,;4.82,1.69,;3.48,.92,;2.15,1.69,;.82,.92,;-.52,1.69,;-1.85,.92,;-3.19,1.69,;-4.52,.92,;-5.85,1.69,;-4.52,-.62,;-3.19,-1.39,;-3.19,-2.93,;-1.85,-.62,;-5.85,-1.39,;-7.19,-.62,;-7.19,.92,;-8.52,-1.39,;-8.52,-2.93,;-7.19,-3.7,;-5.85,-2.93,;-4.52,-3.7,;-9.85,-.62,;-9.85,.92,;-11.19,-1.39,;-12.52,-.62,;-13.85,-1.39,;-13.85,-2.93,;-15.19,-3.7,;-12.52,-3.7,;-11.19,-2.93,;-9.85,-3.7,;10.15,1.69,;10.15,3.23,;11.49,.92,;12.82,1.69,;14.28,1.21,;15.19,2.46,;14.28,3.7,;12.82,3.23,)| Show InChI InChI=1S/C34H39F4N3O5/c1-20(2)16-29(34(44)46-22-8-4-5-9-22)40-14-6-3-7-15-45-23-18-27(37)31(28(38)19-23)41-30(42)13-12-25(33(41)39)32(43)24-11-10-21(35)17-26(24)36/h10-13,17-20,22,29,40H,3-9,14-16,39H2,1-2H3/t29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236619
(US9388136, Table 1, Compound 11:Cyclopentyl (2S)-4...)Show SMILES NCC[C@H](NCCCOc1cc(F)c(c(F)c1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC1CCCC1 |r,wD:3.3,(8.82,-2.93,;8.82,-1.39,;7.48,-.62,;7.48,.92,;6.15,1.69,;4.82,.92,;3.48,1.69,;2.15,.92,;.82,1.69,;-.52,.92,;-1.85,1.69,;-3.19,.92,;-4.52,1.69,;-3.19,-.62,;-1.85,-1.39,;-1.85,-2.93,;-.52,-.62,;-4.52,-1.39,;-5.85,-.62,;-5.85,.92,;-7.19,-1.39,;-7.19,-2.93,;-5.85,-3.7,;-4.52,-2.93,;-3.19,-3.7,;-8.52,-.62,;-8.52,.92,;-9.85,-1.39,;-11.19,-.62,;-12.52,-1.39,;-12.52,-2.93,;-13.86,-3.7,;-11.19,-3.7,;-9.85,-2.93,;-8.52,-3.7,;8.82,1.69,;8.82,3.23,;10.15,.92,;11.49,1.69,;12.95,1.21,;13.86,2.46,;12.95,3.7,;11.49,3.23,)| Show InChI InChI=1S/C30H32F4N4O5/c31-17-6-7-20(22(32)14-17)28(40)21-8-9-26(39)38(29(21)36)27-23(33)15-19(16-24(27)34)42-13-3-12-37-25(10-11-35)30(41)43-18-4-1-2-5-18/h6-9,14-16,18,25,37H,1-5,10-13,35-36H2/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236615
(US9388136, Table 1, Compound 1:tert-Butyl N-(2-{4-...)Show SMILES C[C@H](NCCc1cc(F)c(c(F)c1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC(C)(C)C |r,wD:1.0,(6.67,-.38,;6.67,1.15,;5.33,1.93,;4,1.15,;2.67,1.93,;1.33,1.15,;,1.93,;-1.33,1.15,;-2.67,1.93,;-1.33,-.38,;,-1.15,;,-2.69,;1.33,-.38,;-2.67,-1.15,;-4,-.38,;-4,1.15,;-5.33,-1.15,;-5.33,-2.69,;-4,-3.47,;-2.67,-2.69,;-1.33,-3.47,;-6.67,-.38,;-6.67,1.15,;-8,-1.15,;-9.34,-.38,;-10.67,-1.15,;-10.67,-2.69,;-12,-3.47,;-9.34,-3.47,;-8,-2.69,;-6.67,-3.47,;8,1.93,;8,3.47,;9.34,1.15,;10.67,1.93,;12,1.15,;10.67,3.47,;11.07,.44,)| Show InChI InChI=1S/C27H27F4N3O4/c1-14(26(37)38-27(2,3)4)33-10-9-15-11-20(30)23(21(31)12-15)34-22(35)8-7-18(25(34)32)24(36)17-6-5-16(28)13-19(17)29/h5-8,11-14,33H,9-10,32H2,1-4H3/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236628
(US9388136, Table 1, Compound 20:Cyclopentyl N- (2-...)Show SMILES CC(C)C[C@H](NCCc1cc(F)c(c(F)c1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1)C(=O)OC1CCCC1 |r,wD:4.4,(4.82,-2.93,;4.82,-1.39,;3.48,-.62,;6.15,-.62,;6.15,.92,;4.82,1.69,;3.48,.92,;2.15,1.69,;.82,.92,;-.52,1.69,;-1.85,.92,;-3.19,1.69,;-1.85,-.62,;-.52,-1.39,;-.52,-2.93,;.82,-.62,;-3.19,-1.39,;-4.52,-.62,;-4.52,.92,;-5.85,-1.39,;-5.85,-2.93,;-4.52,-3.7,;-3.19,-2.93,;-1.85,-3.7,;-7.19,-.62,;-7.19,.92,;-8.52,-1.39,;-9.85,-.62,;-11.19,-1.39,;-11.19,-2.93,;-12.52,-3.7,;-9.85,-3.7,;-8.52,-2.93,;7.48,1.69,;7.48,3.23,;8.82,.92,;10.15,1.69,;11.62,1.21,;12.52,2.46,;11.62,3.7,;10.15,3.23,)| Show InChI InChI=1S/C31H34F3N3O4/c1-18(2)15-26(31(40)41-22-5-3-4-6-22)36-14-13-19-16-24(33)28(25(34)17-19)37-27(38)12-11-23(30(37)35)29(39)20-7-9-21(32)10-8-20/h7-12,16-18,22,26,36H,3-6,13-15,35H2,1-2H3/t26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236626
(US9388136, Table 1, Compound 18:Cyclopentyl N- [2-...)Show SMILES CC(C)[C@H](NCCc1cc(F)c(c(F)c1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC1CCCC1 |r,wD:3.3,(4.82,-1.39,;6.15,-.62,;7.48,-1.39,;6.15,.92,;4.82,1.69,;3.48,.92,;2.15,1.69,;.82,.92,;-.52,1.69,;-1.85,.92,;-3.19,1.69,;-1.85,-.62,;-.52,-1.39,;-.52,-2.93,;.82,-.62,;-3.19,-1.39,;-4.52,-.62,;-4.52,.92,;-5.85,-1.39,;-5.85,-2.93,;-4.52,-3.7,;-3.19,-2.93,;-1.85,-3.7,;-7.19,-.62,;-7.19,.92,;-8.52,-1.39,;-8.52,-2.93,;-9.85,-3.7,;-11.19,-2.93,;-12.52,-3.7,;-11.19,-1.39,;-9.85,-.62,;-9.85,.92,;7.48,1.69,;7.48,3.23,;8.82,.92,;10.15,1.69,;11.62,1.21,;12.52,2.46,;11.62,3.7,;10.15,3.23,)| Show InChI InChI=1S/C30H31F4N3O4/c1-16(2)26(30(40)41-19-5-3-4-6-19)36-12-11-17-13-23(33)27(24(34)14-17)37-25(38)10-9-21(29(37)35)28(39)20-8-7-18(31)15-22(20)32/h7-10,13-16,19,26,36H,3-6,11-12,35H2,1-2H3/t26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236621
(US9388136, Table 1, Compound 13:Ethyl N-(3- {4-[6-...)Show SMILES CCOC(=O)[C@H](CC(C)C)NCCCOc1cc(F)c(c(F)c1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1 |r,wD:5.9,(13.34,1.16,;12,1.93,;10.67,1.16,;9.34,1.93,;9.34,3.47,;8,1.16,;8,-.39,;6.67,-1.16,;5.33,-.39,;6.67,-2.7,;6.67,1.93,;5.33,1.16,;4,1.93,;2.67,1.16,;1.33,1.93,;,1.16,;-1.33,1.93,;-2.67,1.16,;-4,1.93,;-2.67,-.39,;-1.33,-1.16,;-1.33,-2.7,;,-.39,;-4,-1.16,;-5.33,-.39,;-5.33,1.16,;-6.67,-1.16,;-6.67,-2.7,;-5.33,-3.47,;-4,-2.7,;-2.67,-3.47,;-8,-.39,;-8,1.16,;-9.34,-1.16,;-10.67,-.39,;-12,-1.16,;-12,-2.7,;-13.34,-3.47,;-10.67,-3.47,;-9.34,-2.7,)| Show InChI InChI=1S/C29H32F3N3O5/c1-4-39-29(38)24(14-17(2)3)34-12-5-13-40-20-15-22(31)26(23(32)16-20)35-25(36)11-10-21(28(35)33)27(37)18-6-8-19(30)9-7-18/h6-11,15-17,24,34H,4-5,12-14,33H2,1-3H3/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236630
(US9388136, Table 1, Compound 22:tert-butyl (2S)- [...)Show SMILES CC(C)(C)OC(=O)[C@@H](NCCc1cc(F)c(c(F)c1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)c1ccccc1 |r,wD:7.7,(10.99,3.41,;10.59,1.92,;10.99,.44,;12.08,1.53,;9.26,1.15,;7.93,1.93,;7.93,3.47,;6.59,1.15,;5.26,1.93,;3.92,1.15,;2.59,1.93,;1.26,1.15,;-.08,1.93,;-1.41,1.15,;-2.74,1.93,;-1.41,-.38,;-.08,-1.15,;-.08,-2.69,;1.26,-.38,;-2.74,-1.15,;-4.08,-.38,;-4.08,1.15,;-5.41,-1.15,;-5.41,-2.69,;-4.08,-3.47,;-2.74,-2.69,;-1.41,-3.47,;-6.75,-.38,;-6.75,1.15,;-8.08,-1.15,;-8.08,-2.69,;-9.41,-3.47,;-10.75,-2.69,;-12.08,-3.47,;-10.75,-1.15,;-9.41,-.38,;-9.41,1.15,;6.59,-.38,;5.26,-1.15,;5.26,-2.69,;6.59,-3.47,;7.93,-2.69,;7.93,-1.15,)| Show InChI InChI=1S/C32H29F4N3O4/c1-32(2,3)43-31(42)27(19-7-5-4-6-8-19)38-14-13-18-15-24(35)28(25(36)16-18)39-26(40)12-11-22(30(39)37)29(41)21-10-9-20(33)17-23(21)34/h4-12,15-17,27,38H,13-14,37H2,1-3H3/t27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236633
(US9388136, Table 1, Compound 25:Cyclopentyl (2R)- ...)Show SMILES Nc1c(ccc(=O)n1-c1c(F)cc(CCN[C@@H](C(=O)OC2CCCC2)c2ccccc2)cc1F)C(=O)c1ccc(F)cc1F |r,wU:16.16,(-4.52,.92,;-4.52,-.62,;-5.85,-1.39,;-5.85,-2.93,;-4.52,-3.7,;-3.19,-2.93,;-1.85,-3.7,;-3.19,-1.39,;-1.85,-.62,;-1.85,.92,;-3.19,1.69,;-.52,1.69,;.82,.92,;2.15,1.69,;3.48,.92,;4.82,1.69,;6.15,.92,;7.48,1.69,;7.48,3.23,;8.82,.92,;10.15,1.69,;11.62,1.21,;12.52,2.46,;11.62,3.7,;10.15,3.23,;6.15,-.62,;4.82,-1.39,;4.82,-2.93,;6.15,-3.7,;7.48,-2.93,;7.48,-1.39,;.82,-.62,;-.52,-1.39,;-.52,-2.93,;-7.19,-.62,;-7.19,.92,;-8.52,-1.39,;-9.85,-.62,;-11.19,-1.39,;-11.19,-2.93,;-12.52,-3.7,;-9.85,-3.7,;-8.52,-2.93,;-7.19,-3.7,)| Show InChI InChI=1S/C33H29F4N3O4/c34-21-10-11-23(25(35)18-21)31(42)24-12-13-28(41)40(32(24)38)30-26(36)16-19(17-27(30)37)14-15-39-29(20-6-2-1-3-7-20)33(43)44-22-8-4-5-9-22/h1-3,6-7,10-13,16-18,22,29,39H,4-5,8-9,14-15,38H2/t29-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236627
(US9388136, Table 1, Compound 19:Cyclopentyl N- [2-...)Show SMILES C[C@@H](O)C(NCCc1ccc(cc1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC1CCCC1 |r| Show InChI InChI=1S/C29H31F2N3O5/c1-17(35)26(29(38)39-21-4-2-3-5-21)33-15-14-18-6-9-20(10-7-18)34-25(36)13-12-23(28(34)32)27(37)22-11-8-19(30)16-24(22)31/h6-13,16-17,21,26,33,35H,2-5,14-15,32H2,1H3/t17-,26?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236631
(US9388136, Table 1, Compound 23:Cyclopentyl N- (2-...)Show SMILES CC(C)(C)OC[C@H](NCCc1cc(F)c(c(F)c1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC1CCCC1 |r,wD:6.6,(5.94,-2.93,;7.48,-2.93,;8.82,-2.16,;8.82,-3.7,;7.48,-1.39,;6.15,-.62,;6.15,.92,;4.82,1.69,;3.48,.92,;2.15,1.69,;.82,.92,;-.52,1.69,;-1.85,.92,;-3.19,1.69,;-1.85,-.62,;-.52,-1.39,;-.52,-2.93,;.82,-.62,;-3.19,-1.39,;-4.52,-.62,;-4.52,.92,;-5.85,-1.39,;-5.85,-2.93,;-4.52,-3.7,;-3.19,-2.93,;-1.85,-3.7,;-7.19,-.62,;-7.19,.92,;-8.52,-1.39,;-8.52,-2.93,;-9.85,-3.7,;-11.19,-2.93,;-12.52,-3.7,;-11.19,-1.39,;-9.85,-.62,;-9.85,.92,;7.48,1.69,;7.48,3.23,;8.82,.92,;10.15,1.69,;11.62,1.21,;12.52,2.46,;11.62,3.7,;10.15,3.23,)| Show InChI InChI=1S/C32H35F4N3O5/c1-32(2,3)43-17-26(31(42)44-20-6-4-5-7-20)38-13-12-18-14-24(35)28(25(36)15-18)39-27(40)11-10-22(30(39)37)29(41)21-9-8-19(33)16-23(21)34/h8-11,14-16,20,26,38H,4-7,12-13,17,37H2,1-3H3/t26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236622
(US9388136, Table 1, Compound 14:tert-butyl N- [2-(...)Show SMILES C[C@H](NCCc1ccc(cc1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C27H29F2N3O4/c1-16(26(35)36-27(2,3)4)31-14-13-17-5-8-19(9-6-17)32-23(33)12-11-21(25(32)30)24(34)20-10-7-18(28)15-22(20)29/h5-12,15-16,31H,13-14,30H2,1-4H3/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236622
(US9388136, Table 1, Compound 14:tert-butyl N- [2-(...)Show SMILES C[C@H](NCCc1ccc(cc1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C27H29F2N3O4/c1-16(26(35)36-27(2,3)4)31-14-13-17-5-8-19(9-6-17)32-23(33)12-11-21(25(32)30)24(34)20-10-7-18(28)15-22(20)29/h5-12,15-16,31H,13-14,30H2,1-4H3/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236617
(US9388136, Table 1, Compound 3:tert-Butyl N-[2-(4-...)Show SMILES CC(C)C[C@H](NCCc1ccc(cc1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C30H35F2N3O4/c1-18(2)16-25(29(38)39-30(3,4)5)34-15-14-19-6-9-21(10-7-19)35-26(36)13-12-23(28(35)33)27(37)22-11-8-20(31)17-24(22)32/h6-13,17-18,25,34H,14-16,33H2,1-5H3/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236629
(US9388136, Table 1, Compound 21:Cyclopentyl (2S)- ...)Show SMILES Nc1c(ccc(=O)n1-c1c(F)cc(CCN[C@H](C(=O)OC2CCCC2)c2ccccc2)cc1F)C(=O)c1ccc(F)cc1F |r,wD:16.16,(-4.52,.92,;-4.52,-.62,;-5.85,-1.39,;-5.85,-2.93,;-4.52,-3.7,;-3.19,-2.93,;-1.85,-3.7,;-3.19,-1.39,;-1.85,-.62,;-1.85,.92,;-3.19,1.69,;-.52,1.69,;.82,.92,;2.15,1.69,;3.48,.92,;4.82,1.69,;6.15,.92,;7.48,1.69,;7.48,3.23,;8.82,.92,;10.15,1.69,;11.62,1.21,;12.52,2.46,;11.62,3.7,;10.15,3.23,;6.15,-.62,;4.82,-1.39,;4.82,-2.93,;6.15,-3.7,;7.48,-2.93,;7.48,-1.39,;.82,-.62,;-.52,-1.39,;-.52,-2.93,;-7.19,-.62,;-7.19,.92,;-8.52,-1.39,;-8.52,-2.93,;-9.85,-3.7,;-11.19,-2.93,;-12.52,-3.7,;-11.19,-1.39,;-9.85,-.62,;-9.85,.92,)| Show InChI InChI=1S/C33H29F4N3O4/c34-21-10-11-23(25(35)18-21)31(42)24-12-13-28(41)40(32(24)38)30-26(36)16-19(17-27(30)37)14-15-39-29(20-6-2-1-3-7-20)33(43)44-22-8-4-5-9-22/h1-3,6-7,10-13,16-18,22,29,39H,4-5,8-9,14-15,38H2/t29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236627
(US9388136, Table 1, Compound 19:Cyclopentyl N- [2-...)Show SMILES C[C@@H](O)C(NCCc1ccc(cc1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC1CCCC1 |r| Show InChI InChI=1S/C29H31F2N3O5/c1-17(35)26(29(38)39-21-4-2-3-5-21)33-15-14-18-6-9-20(10-7-18)34-25(36)13-12-23(28(34)32)27(37)22-11-8-19(30)16-24(22)31/h6-13,16-17,21,26,33,35H,2-5,14-15,32H2,1H3/t17-,26?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236632
(US9388136, Table 1, Compound 24:tert-butyl N-(2- {...)Show SMILES CC(C)(C)OC[C@H](NCCc1cc(F)c(c(F)c1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC(C)(C)C |r,wD:6.6,(3.85,-1.64,;5.18,-2.41,;3.85,-3.18,;5.95,-3.75,;5.18,-.87,;6.51,-.1,;6.51,1.44,;5.18,2.21,;3.85,1.44,;2.51,2.21,;1.18,1.44,;-.15,2.21,;-1.49,1.44,;-2.82,2.21,;-1.49,-.1,;-.15,-.87,;-.15,-2.41,;1.18,-.1,;-2.82,-.87,;-4.15,-.1,;-4.15,1.44,;-5.49,-.87,;-5.49,-2.41,;-4.15,-3.18,;-2.82,-2.41,;-1.49,-3.18,;-6.82,-.1,;-6.82,1.44,;-8.16,-.87,;-8.16,-2.41,;-9.49,-3.18,;-10.82,-2.41,;-12.16,-3.18,;-10.82,-.87,;-9.49,-.1,;-9.49,1.44,;7.85,2.21,;7.85,3.75,;9.18,1.44,;10.67,1.84,;11.07,3.32,;11.76,.75,;12.16,2.23,)| Show InChI InChI=1S/C31H35F4N3O5/c1-30(2,3)42-16-24(29(41)43-31(4,5)6)37-12-11-17-13-22(34)26(23(35)14-17)38-25(39)10-9-20(28(38)36)27(40)19-8-7-18(32)15-21(19)33/h7-10,13-15,24,37H,11-12,16,36H2,1-6H3/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236618
(US9388136, Table 1, Compound 5:tert-Butyl N-(5- {4...)Show SMILES CC(C)C[C@H](NCCCCCOc1cc(F)c(c(F)c1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC(C)(C)C |r,wD:4.4,(6.67,-.39,;8,-1.15,;8,-2.69,;9.34,-.39,;9.34,1.15,;8,1.92,;6.67,1.15,;5.33,1.92,;4,1.15,;2.67,1.92,;1.33,1.15,;,1.92,;-1.33,1.15,;-2.67,1.92,;-4,1.15,;-5.33,1.92,;-4,-.39,;-2.67,-1.15,;-2.67,-2.69,;-1.33,-.39,;-5.33,-1.15,;-6.67,-.39,;-6.67,1.15,;-8,-1.15,;-8,-2.69,;-6.67,-3.46,;-5.33,-2.69,;-4,-3.46,;-9.34,-.39,;-9.34,1.15,;-10.67,-1.15,;-12,-.39,;-13.34,-1.15,;-13.34,-2.69,;-14.67,-3.46,;-12,-3.46,;-10.67,-2.69,;-9.34,-3.46,;10.67,1.92,;10.67,3.46,;12,1.15,;13.34,1.92,;14.67,1.15,;13.34,3.46,;13.34,.39,)| Show InChI InChI=1S/C33H39F4N3O5/c1-19(2)15-27(32(43)45-33(3,4)5)39-13-7-6-8-14-44-21-17-25(36)29(26(37)18-21)40-28(41)12-11-23(31(40)38)30(42)22-10-9-20(34)16-24(22)35/h9-12,16-19,27,39H,6-8,13-15,38H2,1-5H3/t27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236620
(US9388136, Table 1, Compound 12:Cyclopentyl N-(5-{...)Show SMILES CC(C)C[C@H](NCCCCCOc1cc(F)c(c(F)c1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC1CCCC1 |r,wD:4.4,(7.48,-2.93,;7.48,-1.39,;6.15,-.62,;8.82,-.62,;8.82,.92,;7.48,1.69,;6.15,.92,;4.82,1.69,;3.48,.92,;2.15,1.69,;.82,.92,;-.52,1.69,;-1.85,.92,;-3.19,1.69,;-4.52,.92,;-5.85,1.69,;-4.52,-.62,;-3.19,-1.39,;-3.19,-2.93,;-1.85,-.62,;-5.85,-1.39,;-7.19,-.62,;-7.19,.92,;-8.52,-1.39,;-8.52,-2.93,;-7.19,-3.7,;-5.85,-2.93,;-4.52,-3.7,;-9.85,-.62,;-9.85,.92,;-11.19,-1.39,;-12.52,-.62,;-13.85,-1.39,;-13.85,-2.93,;-15.19,-3.7,;-12.52,-3.7,;-11.19,-2.93,;-9.85,-3.7,;10.15,1.69,;10.15,3.23,;11.49,.92,;12.82,1.69,;14.28,1.21,;15.19,2.46,;14.28,3.7,;12.82,3.23,)| Show InChI InChI=1S/C34H39F4N3O5/c1-20(2)16-29(34(44)46-22-8-4-5-9-22)40-14-6-3-7-15-45-23-18-27(37)31(28(38)19-23)41-30(42)13-12-25(33(41)39)32(43)24-11-10-21(35)17-26(24)36/h10-13,17-20,22,29,40H,3-9,14-16,39H2,1-2H3/t29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236616
(US9388136, Table 1, Compound 2:tert-Butyl N-[2-(4-...)Show SMILES CC(C)C[C@H](NCCc1ccc(cc1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C30H36FN3O4/c1-19(2)18-25(29(37)38-30(3,4)5)33-17-16-20-6-12-23(13-7-20)34-26(35)15-14-24(28(34)32)27(36)21-8-10-22(31)11-9-21/h6-15,19,25,33H,16-18,32H2,1-5H3/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 118 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236623
(US9388136, Table 1, Compound 15:tert-butyl N-(2- {...)Show SMILES CC(C)C[C@H](NCCc1cc(F)c(c(F)c1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC(C)(C)C |r,wD:4.4,(6,-2.69,;6,-1.15,;4.67,-.38,;7.34,-.38,;7.34,1.15,;6,1.93,;4.67,1.15,;3.33,1.93,;2,1.15,;.67,1.93,;-.67,1.15,;-2,1.93,;-.67,-.38,;.67,-1.15,;.67,-2.69,;2,-.38,;-2,-1.15,;-3.33,-.38,;-3.33,1.15,;-4.67,-1.15,;-4.67,-2.69,;-3.33,-3.47,;-2,-2.69,;-.67,-3.47,;-6,-.38,;-6,1.15,;-7.34,-1.15,;-7.34,-2.69,;-8.67,-3.47,;-10,-2.69,;-11.34,-3.47,;-10,-1.15,;-8.67,-.38,;-8.67,1.15,;8.67,1.93,;8.67,3.47,;10,1.15,;10,-.38,;11.34,-1.15,;8.67,-1.15,;10,-1.93,)| Show InChI InChI=1S/C30H33F4N3O4/c1-16(2)12-24(29(40)41-30(3,4)5)36-11-10-17-13-22(33)26(23(34)14-17)37-25(38)9-8-20(28(37)35)27(39)19-7-6-18(31)15-21(19)32/h6-9,13-16,24,36H,10-12,35H2,1-5H3/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236624
(US9388136, Table 1, Compound 16:tert-butyl N-(2- {...)Show SMILES CC(C)C[C@@H](NCCc1cc(F)c(c(F)c1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC(C)(C)C |r,wU:4.4,(5.23,-2.69,;5.23,-1.15,;3.9,-.38,;6.57,-.38,;6.57,1.15,;5.23,1.93,;3.9,1.15,;2.56,1.93,;1.23,1.15,;-.1,1.93,;-1.44,1.15,;-2.77,1.93,;-1.44,-.38,;-.1,-1.15,;-.1,-2.69,;1.23,-.38,;-2.77,-1.15,;-4.1,-.38,;-4.1,1.15,;-5.44,-1.15,;-5.44,-2.69,;-4.1,-3.47,;-2.77,-2.69,;-1.44,-3.47,;-6.77,-.38,;-6.77,1.15,;-8.11,-1.15,;-8.11,-2.69,;-9.44,-3.47,;-10.77,-2.69,;-12.11,-3.47,;-10.77,-1.15,;-9.44,-.38,;-9.44,1.15,;7.9,1.93,;7.9,3.47,;9.23,1.15,;10.57,1.93,;12.11,1.93,;11.34,3.26,;11.34,.59,)| Show InChI InChI=1S/C30H33F4N3O4/c1-16(2)12-24(29(40)41-30(3,4)5)36-11-10-17-13-22(33)26(23(34)14-17)37-25(38)9-8-20(28(37)35)27(39)19-7-6-18(31)15-21(19)32/h6-9,13-16,24,36H,10-12,35H2,1-5H3/t24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 167 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236625
(US9388136, Table 1, Compound 17:cyclopentyl N-(2- ...)Show SMILES CC(C)C[C@H](NCCc1cc(F)c(c(F)c1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC1CCCC1 |r,wD:4.4,(4.82,-2.93,;4.82,-1.39,;3.48,-.62,;6.15,-.62,;6.15,.92,;4.82,1.69,;3.48,.92,;2.15,1.69,;.82,.92,;-.52,1.69,;-1.85,.92,;-3.19,1.69,;-1.85,-.62,;-.52,-1.39,;-.52,-2.93,;.82,-.62,;-3.19,-1.39,;-4.52,-.62,;-4.52,.92,;-5.85,-1.39,;-5.85,-2.93,;-4.52,-3.7,;-3.19,-2.93,;-1.85,-3.7,;-7.19,-.62,;-7.19,.92,;-8.52,-1.39,;-9.85,-.62,;-11.19,-1.39,;-11.19,-2.93,;-12.52,-3.7,;-9.85,-3.7,;-8.52,-2.93,;-7.19,-3.7,;7.48,1.69,;7.48,3.23,;8.82,.92,;10.15,1.69,;11.62,1.21,;12.52,2.46,;11.62,3.7,;10.15,3.23,)| Show InChI InChI=1S/C31H33F4N3O4/c1-17(2)13-26(31(41)42-20-5-3-4-6-20)37-12-11-18-14-24(34)28(25(35)15-18)38-27(39)10-9-22(30(38)36)29(40)21-8-7-19(32)16-23(21)33/h7-10,14-17,20,26,37H,3-6,11-13,36H2,1-2H3/t26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 231 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236617
(US9388136, Table 1, Compound 3:tert-Butyl N-[2-(4-...)Show SMILES CC(C)C[C@H](NCCc1ccc(cc1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C30H35F2N3O4/c1-18(2)16-25(29(38)39-30(3,4)5)34-15-14-19-6-9-21(10-7-19)35-26(36)13-12-23(28(35)33)27(37)22-11-8-20(31)17-24(22)32/h6-13,17-18,25,34H,14-16,33H2,1-5H3/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM236616
(US9388136, Table 1, Compound 2:tert-Butyl N-[2-(4-...)Show SMILES CC(C)C[C@H](NCCc1ccc(cc1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C30H36FN3O4/c1-19(2)18-25(29(37)38-30(3,4)5)33-17-16-20-6-12-23(13-7-20)34-26(35)15-14-24(28(34)32)27(36)21-8-10-22(31)11-9-21/h6-15,19,25,33H,16-18,32H2,1-5H3/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 724 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Chroma Therapeutics Ltd
US Patent
| Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o... |
US Patent US9388136 (2016)
BindingDB Entry DOI: 10.7270/Q2M61J5H |
More data for this
Ligand-Target Pair | |
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