Found 8 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)) | BDBM50309525
(2-(5-(4-(4-fluorobenzyl)piperidine-1-carbonyl)-6-m...)Show SMILES COc1cc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C26H28FN3O4/c1-29(2)26(33)24(31)21-15-28-22-14-23(34-3)20(13-19(21)22)25(32)30-10-8-17(9-11-30)12-16-4-6-18(27)7-5-16/h4-7,13-15,17,28H,8-12H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha after 60 mins |
Bioorg Med Chem Lett 20: 1059-62 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.031
BindingDB Entry DOI: 10.7270/Q2J38SP4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50309524
(2-(6-chloro-5-(4-(4-fluorobenzyl)piperidine-1-carb...)Show SMILES CN(C)C(=O)C(=O)c1c[nH]c2cc(Cl)c(cc12)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C25H25ClFN3O3/c1-29(2)25(33)23(31)20-14-28-22-13-21(26)19(12-18(20)22)24(32)30-9-7-16(8-10-30)11-15-3-5-17(27)6-4-15/h3-6,12-14,16,28H,7-11H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha after 60 mins |
Bioorg Med Chem Lett 20: 1059-62 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.031
BindingDB Entry DOI: 10.7270/Q2J38SP4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50309531
(2-(5-(4-(4-fluorobenzyl)piperidine-1-carbonyl)-6-m...)Show SMILES COc1nc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C25H27FN4O4/c1-29(2)25(33)21(31)20-14-27-22-18(20)13-19(23(28-22)34-3)24(32)30-10-8-16(9-11-30)12-15-4-6-17(26)7-5-15/h4-7,13-14,16H,8-12H2,1-3H3,(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha after 60 mins |
Bioorg Med Chem Lett 20: 1059-62 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.031
BindingDB Entry DOI: 10.7270/Q2J38SP4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50309529
(2-(3-(4-(4-fluorobenzyl)piperidine-1-carbonyl)-2-m...)Show SMILES CN(C)C(=O)C(=O)c1ccc2[nH]c(C)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c2c1 Show InChI InChI=1S/C26H28FN3O3/c1-16-23(21-15-19(6-9-22(21)28-16)24(31)26(33)29(2)3)25(32)30-12-10-18(11-13-30)14-17-4-7-20(27)8-5-17/h4-9,15,18,28H,10-14H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha after 60 mins |
Bioorg Med Chem Lett 20: 1059-62 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.031
BindingDB Entry DOI: 10.7270/Q2J38SP4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50309528
(2-(6-chloro-5-(4-(4-fluorobenzyl)piperidine-1-carb...)Show SMILES CN(C)C(=O)C(=O)c1nn(C)c2cc(Cl)c(cc12)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C25H26ClFN4O3/c1-29(2)25(34)23(32)22-19-13-18(20(26)14-21(19)30(3)28-22)24(33)31-10-8-16(9-11-31)12-15-4-6-17(27)7-5-15/h4-7,13-14,16H,8-12H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha after 60 mins |
Bioorg Med Chem Lett 20: 1059-62 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.031
BindingDB Entry DOI: 10.7270/Q2J38SP4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50309530
(2-(5-(4-(4-fluorobenzyl)piperidine-1-carbonyl)-6-m...)Show SMILES COc1cc2occ(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C26H27FN2O5/c1-28(2)26(32)24(30)21-15-34-23-14-22(33-3)20(13-19(21)23)25(31)29-10-8-17(9-11-29)12-16-4-6-18(27)7-5-16/h4-7,13-15,17H,8-12H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha after 60 mins |
Bioorg Med Chem Lett 20: 1059-62 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.031
BindingDB Entry DOI: 10.7270/Q2J38SP4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50309526
(2-(3-(4-(4-fluorobenzyl)piperidine-1-carbonyl)-4-m...)Show SMILES COc1ccc(cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1)C(=O)C(=O)N(C)C Show InChI InChI=1S/C24H27FN2O4/c1-26(2)24(30)22(28)18-6-9-21(31-3)20(15-18)23(29)27-12-10-17(11-13-27)14-16-4-7-19(25)8-5-16/h4-9,15,17H,10-14H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 945 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha after 60 mins |
Bioorg Med Chem Lett 20: 1059-62 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.031
BindingDB Entry DOI: 10.7270/Q2J38SP4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50309527
(2-(3-(4-(4-fluorobenzyl)piperidine-1-carbonyl)-2-(...)Show SMILES CN(C)C(=O)C(=O)c1ccc2OC(C(=Cc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1)C(F)(F)F |c:13| Show InChI InChI=1S/C27H26F4N2O4/c1-32(2)26(36)23(34)18-5-8-22-19(14-18)15-21(24(37-22)27(29,30)31)25(35)33-11-9-17(10-12-33)13-16-3-6-20(28)7-4-16/h3-8,14-15,17,24H,9-13H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha after 60 mins |
Bioorg Med Chem Lett 20: 1059-62 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.031
BindingDB Entry DOI: 10.7270/Q2J38SP4 |
More data for this
Ligand-Target Pair | |
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