BDBM176677 US9115122, SF-2-062
SMILES: CCOc1ccc(\C=C2/SC(=S)N(CCNCc3ccc(cc3)C(O)=O)C2=O)cc1
InChI Key: InChIKey=GWTVSEKWJKUHKU-UYRXBGFRSA-N
Data: 5 Kd
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 1 (Mus musculus (Mouse)) | BDBM176677![]() (US9115122, SF-2-062) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF MARYLAND, BALTIMORE US Patent | Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ... | US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase 1 (Mus musculus (Mouse)) | BDBM176677![]() (US9115122, SF-2-062) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF MARYLAND, BALTIMORE US Patent | Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ... | US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MAP kinase p38 (Mus musculus (mouse)) | BDBM176677![]() (US9115122, SF-2-062) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF MARYLAND, BALTIMORE US Patent | Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ... | US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase 1 (Mus musculus (Mouse)) | BDBM176677![]() (US9115122, SF-2-062) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF MARYLAND, BALTIMORE US Patent | Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ... | US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase 1 (Mus musculus (Mouse)) | BDBM176677![]() (US9115122, SF-2-062) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF MARYLAND, BALTIMORE US Patent | Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ... | US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7 | |||||||||||
More data for this Ligand-Target Pair |