Found 4 hits for monomerid = 50485096 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)) | BDBM50485096
(CHEMBL2030244)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(nn3c2)-c2ccc(F)cc2)c1F Show InChI InChI=1S/C22H18F3N5O3S/c1-2-9-34(32,33)29-17-8-7-16(24)20(21(17)25)22(31)27-15-11-26-19-10-18(28-30(19)12-15)13-3-5-14(23)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,31) | 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 | 11 | 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 | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485096
(CHEMBL2030244)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(nn3c2)-c2ccc(F)cc2)c1F Show InChI InChI=1S/C22H18F3N5O3S/c1-2-9-34(32,33)29-17-8-7-16(24)20(21(17)25)22(31)27-15-11-26-19-10-18(28-30(19)12-15)13-3-5-14(23)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,31) | 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 | 11 | 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 (unknown origin) |
Bioorg Med Chem Lett 23: 5896-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.086
BindingDB Entry DOI: 10.7270/Q29889X1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485096
(CHEMBL2030244)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(nn3c2)-c2ccc(F)cc2)c1F Show InChI InChI=1S/C22H18F3N5O3S/c1-2-9-34(32,33)29-17-8-7-16(24)20(21(17)25)22(31)27-15-11-26-19-10-18(28-30(19)12-15)13-3-5-14(23)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,31) | 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 | 54 | 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 in human Malme-3M cells assessed as basal ERK phosphorylation |
Bioorg Med Chem Lett 23: 5896-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.086
BindingDB Entry DOI: 10.7270/Q29889X1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485096
(CHEMBL2030244)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(nn3c2)-c2ccc(F)cc2)c1F Show InChI InChI=1S/C22H18F3N5O3S/c1-2-9-34(32,33)29-17-8-7-16(24)20(21(17)25)22(31)27-15-11-26-19-10-18(28-30(19)12-15)13-3-5-14(23)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,31) | 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 | 54 | 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 | |
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