BDBM50485093 CHEMBL2030236
SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(nn3c2)N2CCCC2)c1F
InChI Key: InChIKey=BTKJOOFZQTUKKQ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50485093 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 |
|---|
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485093
(CHEMBL2030236)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(nn3c2)N2CCCC2)c1F Show InChI InChI=1S/C20H22F2N6O3S/c1-2-9-32(30,31)26-15-6-5-14(21)18(19(15)22)20(29)24-13-11-23-16-10-17(25-28(16)12-13)27-7-3-4-8-27/h5-6,10-12,26H,2-4,7-9H2,1H3,(H,24,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 664 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of B-raf V600E mutant-mediated Erk phosphorylation in human Malme3 cells |
Bioorg Med Chem Lett 22: 1165-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.092
BindingDB Entry DOI: 10.7270/Q2RB77GQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485093
(CHEMBL2030236)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(nn3c2)N2CCCC2)c1F Show InChI InChI=1S/C20H22F2N6O3S/c1-2-9-32(30,31)26-15-6-5-14(21)18(19(15)22)20(29)24-13-11-23-16-10-17(25-28(16)12-13)27-7-3-4-8-27/h5-6,10-12,26H,2-4,7-9H2,1H3,(H,24,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 367 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full-length B-raf V600E mutant |
Bioorg Med Chem Lett 22: 1165-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.092
BindingDB Entry DOI: 10.7270/Q2RB77GQ |
More data for this
Ligand-Target Pair | |
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