Found 5 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)) | BDBM50322414
(4-(4-Fluorophenyl)-5-{2-[4-hydroxycyclohexylamino]...)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1cc(ccn1)-c1[nH]c(=O)[nH]c1-c1ccc(F)cc1 |r,wU:4.7,wD:1.0,(-1.61,-9.61,;-2.93,-8.81,;-2.9,-7.27,;-4.22,-6.47,;-5.56,-7.23,;-5.59,-8.77,;-4.28,-9.56,;-6.88,-6.44,;-6.85,-4.9,;-5.51,-4.15,;-5.49,-2.62,;-6.8,-1.82,;-8.15,-2.57,;-8.18,-4.11,;-4.14,-1.88,;-2.66,-2.31,;-1.8,-1.03,;-.26,-.98,;-2.74,.18,;-4.19,-.34,;-5.46,.52,;-6.8,-.25,;-8.13,.52,;-8.13,2.06,;-9.46,2.83,;-6.8,2.83,;-5.47,2.07,)| Show InChI InChI=1S/C20H21FN4O2/c21-14-3-1-12(2-4-14)18-19(25-20(27)24-18)13-9-10-22-17(11-13)23-15-5-7-16(26)8-6-15/h1-4,9-11,15-16,26H,5-8H2,(H,22,23)(H2,24,25,27)/t15-,16- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls University of Tubingen
Curated by ChEMBL
| Assay Description Inhibition of p38alpha |
J Med Chem 53: 4798-802 (2010)
Article DOI: 10.1021/jm100161q BindingDB Entry DOI: 10.7270/Q2154H7H |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM13336
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls University of Tubingen
Curated by ChEMBL
| Assay Description Inhibition of p38alpha |
J Med Chem 53: 4798-802 (2010)
Article DOI: 10.1021/jm100161q BindingDB Entry DOI: 10.7270/Q2154H7H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50322415
((S)-4-(4-Fluorophenyl)-5-[2-(3-methylbutan-2-ylami...)Show SMILES CC(C)[C@H](C)Nc1cc(ccn1)-c1[nH]c(=O)[nH]c1-c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H21FN4O/c1-11(2)12(3)22-16-10-14(8-9-21-16)18-17(23-19(25)24-18)13-4-6-15(20)7-5-13/h4-12H,1-3H3,(H,21,22)(H2,23,24,25)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls University of Tubingen
Curated by ChEMBL
| Assay Description Inhibition of p38alpha |
J Med Chem 53: 4798-802 (2010)
Article DOI: 10.1021/jm100161q BindingDB Entry DOI: 10.7270/Q2154H7H |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50322416
((R)-4-(4-Fluorophenyl)-5-[2-(1-phenylethylamino)py...)Show SMILES C[C@@H](Nc1cc(ccn1)-c1[nH]c(=O)[nH]c1-c1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C22H19FN4O/c1-14(15-5-3-2-4-6-15)25-19-13-17(11-12-24-19)21-20(26-22(28)27-21)16-7-9-18(23)10-8-16/h2-14H,1H3,(H,24,25)(H2,26,27,28)/t14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 324 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls University of Tubingen
Curated by ChEMBL
| Assay Description Inhibition of p38alpha |
J Med Chem 53: 4798-802 (2010)
Article DOI: 10.1021/jm100161q BindingDB Entry DOI: 10.7270/Q2154H7H |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50322417
(4-(4-Fluorophenyl)-5-(pyridin-4-yl)-1,3-dihydroimi...)Show InChI InChI=1S/C14H10FN3O/c15-11-3-1-9(2-4-11)12-13(18-14(19)17-12)10-5-7-16-8-6-10/h1-8H,(H2,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 468 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls University of Tubingen
Curated by ChEMBL
| Assay Description Inhibition of p38alpha |
J Med Chem 53: 4798-802 (2010)
Article DOI: 10.1021/jm100161q BindingDB Entry DOI: 10.7270/Q2154H7H |
More data for this Ligand-Target Pair | |