Found 5 hits of ki for UniProtKB: P41279 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM50341519
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r| Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of COT |
J Med Chem 54: 2341-50 (2011)
Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM50463484
(CHEMBL4248525)Show SMILES CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1 Show InChI InChI=1S/C26H30N6O2S/c1-31-10-12-32(13-11-31)9-4-14-34-20-6-2-5-19(15-20)16-24(33)30-26-29-23(18-35-26)22-17-28-25-21(22)7-3-8-27-25/h2-3,5-8,15,17-18H,4,9-14,16H2,1H3,(H,27,28)(H,29,30,33) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of COT (unknown origin) |
Bioorg Med Chem Lett 28: 2622-2626 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.040 BindingDB Entry DOI: 10.7270/Q2ZC85HX |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM50463483
(CHEMBL4245242)Show SMILES O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C26H29N5O2S/c32-24(31-26-30-23(17-34-26)22-16-29-25-21(22)7-2-10-28-25)15-19-4-1-6-20(14-19)33-13-3-5-18-8-11-27-12-9-18/h1-2,4,6-7,10,14,16-18,27H,3,5,8-9,11-13,15H2,(H,28,29)(H,30,31,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of COT (unknown origin) |
Bioorg Med Chem Lett 28: 2622-2626 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.040 BindingDB Entry DOI: 10.7270/Q2ZC85HX |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM50258424
(CHEMBL494221 | trans-4-(3-(3-(trifluoromethyl)phen...)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)| Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)12-3-1-2-11(10-12)17-24-23-16-9-8-15(25-26(16)17)22-13-4-6-14(27)7-5-13/h1-3,8-10,13-14,27H,4-7H2,(H,22,25)/t13-,14- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of COT (unknown origin) |
Bioorg Med Chem Lett 19: 3019-22 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.061 BindingDB Entry DOI: 10.7270/Q21J99PJ |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM50463479
(CHEMBL4249925)Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1 Show InChI InChI=1S/C19H17N5O3S2/c1-29(26,27)24-13-5-2-4-12(8-13)9-17(25)23-19-22-16(11-28-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11,24H,9H2,1H3,(H,20,21)(H,22,23,25) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of COT (unknown origin) |
Bioorg Med Chem Lett 28: 2622-2626 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.040 BindingDB Entry DOI: 10.7270/Q2ZC85HX |
More data for this Ligand-Target Pair | |