BDBM50494489 CHEMBL3092182
SMILES: CN(C)C(=O)Oc1ccc2c(C)c(Cc3cccc(NS(N)(=O)=O)c3)c(=O)oc2c1
InChI Key: InChIKey=RDHJQMGXZQRIBK-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50494489 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 |
|---|
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50494489
(CHEMBL3092182)Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cccc(NS(N)(=O)=O)c3)c(=O)oc2c1 Show InChI InChI=1S/C20H21N3O6S/c1-12-16-8-7-15(28-20(25)23(2)3)11-18(16)29-19(24)17(12)10-13-5-4-6-14(9-13)22-30(21,26)27/h4-9,11,22H,10H2,1-3H3,(H2,21,26,27) | 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 | 230 | 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 | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50494489
(CHEMBL3092182)Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cccc(NS(N)(=O)=O)c3)c(=O)oc2c1 Show InChI InChI=1S/C20H21N3O6S/c1-12-16-8-7-15(28-20(25)23(2)3)11-18(16)29-19(24)17(12)10-13-5-4-6-14(9-13)22-30(21,26)27/h4-9,11,22H,10H2,1-3H3,(H2,21,26,27) | 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 | 530 | 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 | |
Search and Browse
