BDBM50494488 CHEMBL3092183
SMILES: CN(C)C(=O)Oc1ccc2c(C)c(Cc3cc(NS(N)(=O)=O)ccc3F)c(=O)oc2c1
InChI Key: InChIKey=REJHULCFUPQXSV-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50494488 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 |
|---|
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50494488
(CHEMBL3092183)Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cc(NS(N)(=O)=O)ccc3F)c(=O)oc2c1 Show InChI InChI=1S/C20H20FN3O6S/c1-11-15-6-5-14(29-20(26)24(2)3)10-18(15)30-19(25)16(11)9-12-8-13(4-7-17(12)21)23-31(22,27)28/h4-8,10,23H,9H2,1-3H3,(H2,22,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50494488
(CHEMBL3092183)Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cc(NS(N)(=O)=O)ccc3F)c(=O)oc2c1 Show InChI InChI=1S/C20H20FN3O6S/c1-11-15-6-5-14(29-20(26)24(2)3)10-18(15)30-19(25)16(11)9-12-8-13(4-7-17(12)21)23-31(22,27)28/h4-8,10,23H,9H2,1-3H3,(H2,22,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
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