Found 4 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 13
(Mus musculus) | BDBM50219254
(CHEMBL347592)Show SMILES C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCc2ccccc2)n1)-c1ccc(F)cc1)C(=O)N1CCOCC1 |wU:4.7,1.0,wD:1.37,(10.24,-.19,;9.47,-1.52,;8.56,-.28,;7.03,-.44,;6.42,-1.85,;7.31,-3.09,;8.84,-2.94,;4.88,-2.01,;4.11,-3.34,;2.61,-3.03,;2.45,-1.5,;3.85,-.87,;1.1,-.73,;1.1,.81,;-.23,1.58,;-1.56,.81,;-1.56,-.73,;-2.89,-1.5,;-4.22,-.73,;-4.22,.81,;-5.55,1.58,;-5.55,3.1,;-4.22,3.89,;-2.89,3.1,;-2.89,1.56,;-.23,-1.5,;1.47,-4.07,;,-3.59,;-1.14,-4.62,;-.82,-6.12,;-1.96,-7.16,;.65,-6.59,;1.8,-5.56,;10.8,-2.29,;10.8,-3.83,;12.13,-1.52,;13.46,-2.31,;14.79,-1.54,;14.8,,;13.47,.77,;12.13,.02,)| Show InChI InChI=1S/C30H31FN6O4/c1-30(28(38)37-13-15-39-16-14-37)18-40-27(41-19-30)26-35-24(21-7-9-22(31)10-8-21)25(36-26)23-11-12-32-29(34-23)33-17-20-5-3-2-4-6-20/h2-12,27H,13-19H2,1H3,(H,35,36)(H,32,33,34)/t27-,30- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma
Curated by ChEMBL
| Assay Description
Inhibition of murine Mitogen-activated protein kinase p38 |
Bioorg Med Chem Lett 11: 693-6 (2001)
BindingDB Entry DOI: 10.7270/Q2F191WG |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50219252
(CHEMBL159932)Show SMILES COCCCNc1nccc(n1)-c1[nH]c(nc1-c1ccc(F)cc1)[C@H]1OC[C@@](C)(CO1)C(=O)N1CCOCC1 |wU:24.26,27.30,wD:27.34,(-7.57,.44,;-6.24,-.34,;-4.9,.42,;-3.57,-.35,;-2.24,.42,;-.9,-.35,;.43,.42,;.43,1.96,;1.76,2.74,;3.12,1.96,;3.12,.42,;1.76,-.35,;4.45,-.35,;5.85,.28,;6.91,-.87,;6.13,-2.2,;4.61,-1.88,;3.47,-2.92,;3.8,-4.42,;2.65,-5.45,;1.18,-4.98,;.03,-6.02,;.85,-3.47,;2,-2.44,;8.43,-.7,;9.06,.72,;10.58,.88,;11.49,-.37,;12.26,.96,;10.86,-1.78,;9.34,-1.94,;12.82,-1.15,;12.82,-2.69,;14.15,-.37,;14.15,1.17,;15.51,1.93,;16.84,1.16,;16.82,-.38,;15.49,-1.15,)| Show InChI InChI=1S/C27H33FN6O5/c1-27(25(35)34-11-14-37-15-12-34)16-38-24(39-17-27)23-32-21(18-4-6-19(28)7-5-18)22(33-23)20-8-10-30-26(31-20)29-9-3-13-36-2/h4-8,10,24H,3,9,11-17H2,1-2H3,(H,32,33)(H,29,30,31)/t24-,27- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma
Curated by ChEMBL
| Assay Description
Inhibition of murine Mitogen-activated protein kinase p38 |
Bioorg Med Chem Lett 11: 693-6 (2001)
BindingDB Entry DOI: 10.7270/Q2F191WG |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50219253
(CHEMBL161197)Show SMILES C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NC2CC2)n1)-c1ccc(F)cc1)C(=O)N1CCOCC1 |wU:4.7,1.0,wD:1.33,(10.32,.96,;9.56,-.37,;8.65,.88,;7.12,.72,;6.51,-.7,;7.4,-1.94,;8.93,-1.78,;4.98,-.86,;4.21,-2.19,;2.69,-1.87,;2.53,-.35,;3.94,.28,;1.2,.42,;1.2,1.96,;-.14,2.73,;-1.47,1.96,;-1.47,.42,;-2.81,-.35,;-4.14,.42,;-5.64,.02,;-4.73,1.97,;-.14,-.35,;1.55,-2.92,;1.87,-4.41,;.75,-5.43,;-.72,-4.97,;-1.87,-6,;-1.05,-3.46,;.09,-2.43,;10.89,-1.14,;10.89,-2.68,;12.22,-.37,;13.55,-1.15,;14.88,-.38,;14.89,1.16,;13.56,1.93,;12.21,1.17,)| Show InChI InChI=1S/C26H29FN6O4/c1-26(24(34)33-10-12-35-13-11-33)14-36-23(37-15-26)22-31-20(16-2-4-17(27)5-3-16)21(32-22)19-8-9-28-25(30-19)29-18-6-7-18/h2-5,8-9,18,23H,6-7,10-15H2,1H3,(H,31,32)(H,28,29,30)/t23-,26- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma
Curated by ChEMBL
| Assay Description
Inhibition of murine Mitogen-activated protein kinase p38 |
Bioorg Med Chem Lett 11: 693-6 (2001)
BindingDB Entry DOI: 10.7270/Q2F191WG |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Mus musculus-Mus musculus (mouse)) | BDBM50219251
(CHEMBL423071)Show SMILES C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(Nc2ccccc2)n1)-c1ccc(F)cc1)C(=O)N1CCOCC1 |wU:4.7,1.0,wD:1.36,(10.99,1.09,;10.19,-.24,;9.3,1.03,;7.76,.9,;7.1,-.5,;7.99,-1.76,;9.53,-1.65,;5.58,-.63,;4.85,-1.97,;3.33,-1.72,;3.12,-.17,;4.5,.49,;1.79,.59,;1.79,2.15,;.43,2.92,;-.9,2.13,;-.9,.59,;-2.24,-.21,;-3.6,.55,;-3.62,2.08,;-4.95,2.83,;-6.29,2.04,;-6.26,.51,;-4.91,-.24,;.43,-.17,;2.28,-2.84,;2.72,-4.31,;1.65,-5.43,;.17,-5.08,;-.88,-6.21,;-.27,-3.61,;.78,-2.49,;11.5,-1.04,;11.48,-2.61,;12.86,-.29,;14.19,-1.08,;15.53,-.31,;15.55,1.24,;14.22,2.03,;12.88,1.26,)| Show InChI InChI=1S/C29H29FN6O4/c1-29(27(37)36-13-15-38-16-14-36)17-39-26(40-18-29)25-34-23(19-7-9-20(30)10-8-19)24(35-25)22-11-12-31-28(33-22)32-21-5-3-2-4-6-21/h2-12,26H,13-18H2,1H3,(H,34,35)(H,31,32,33)/t26-,29- | PDB
MMDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma
Curated by ChEMBL
| Assay Description
Inhibitory activity against p38 kinase (40 ng/well) was determined in mouse |
Bioorg Med Chem Lett 11: 693-6 (2001)
BindingDB Entry DOI: 10.7270/Q2F191WG |
More data for this
Ligand-Target Pair | |
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