Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50009878 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 kinase kinase 2
(Homo sapiens (Human)) | BDBM50533232
(CHEMBL4564126)Show SMILES Cc1cnc(cc1-n1c2ccncc2n(CC(N)=O)c1=O)-c1cc(Cl)ccc1F |(22.08,-22.62,;20.75,-23.4,;20.75,-24.95,;19.41,-25.72,;18.08,-24.95,;18.08,-23.4,;19.41,-22.63,;19.41,-21.09,;18.15,-20.2,;16.65,-20.52,;15.62,-19.38,;16.09,-17.91,;17.6,-17.59,;18.63,-18.73,;20.16,-18.73,;21.06,-17.48,;22.6,-17.63,;23.5,-16.39,;23.23,-19.04,;20.64,-20.19,;22.11,-20.66,;16.75,-25.72,;15.41,-24.94,;14.08,-25.71,;12.75,-24.94,;14.08,-27.25,;15.42,-28.02,;16.75,-27.25,;18.08,-28.02,)| Show InChI InChI=1S/C20H15ClFN5O2/c1-11-8-25-15(13-6-12(21)2-3-14(13)22)7-17(11)27-16-4-5-24-9-18(16)26(20(27)29)10-19(23)28/h2-9H,10H2,1H3,(H2,23,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description Inhibition of MAP3K2 (unknown origin) |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030 BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50533232
(CHEMBL4564126)Show SMILES Cc1cnc(cc1-n1c2ccncc2n(CC(N)=O)c1=O)-c1cc(Cl)ccc1F |(22.08,-22.62,;20.75,-23.4,;20.75,-24.95,;19.41,-25.72,;18.08,-24.95,;18.08,-23.4,;19.41,-22.63,;19.41,-21.09,;18.15,-20.2,;16.65,-20.52,;15.62,-19.38,;16.09,-17.91,;17.6,-17.59,;18.63,-18.73,;20.16,-18.73,;21.06,-17.48,;22.6,-17.63,;23.5,-16.39,;23.23,-19.04,;20.64,-20.19,;22.11,-20.66,;16.75,-25.72,;15.41,-24.94,;14.08,-25.71,;12.75,-24.94,;14.08,-27.25,;15.42,-28.02,;16.75,-27.25,;18.08,-28.02,)| Show InChI InChI=1S/C20H15ClFN5O2/c1-11-8-25-15(13-6-12(21)2-3-14(13)22)7-17(11)27-16-4-5-24-9-18(16)26(20(27)29)10-19(23)28/h2-9H,10H2,1H3,(H2,23,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description Inhibition of MAP3K2 (unknown origin) |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030 BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this Ligand-Target Pair | |