Found 3 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM221685' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/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)) | BDBM221685
![PNG](/data/jpeg/tenK22/BindingDB_221685.png) (US10568884, Cpd 6 | US9314464, 6 | US9593100, Comp...)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1c(F)ccc(NS(C)(=O)=O)c1F)C(C)C |r,wD:5.5,(-7.74,6.48,;-6.41,5.71,;-5.08,6.48,;-5.08,8.02,;-3.74,5.71,;-3.74,4.17,;-5.08,3.4,;-2.41,3.4,;-2.41,1.86,;-1.08,1.09,;.26,1.86,;1.59,1.09,;1.59,-.45,;.26,-1.22,;-1.08,-.45,;.26,-2.76,;-.99,-3.66,;-.51,-5.13,;1.03,-5.13,;1.5,-3.66,;2.99,-3.27,;3.39,-1.78,;2.3,-.69,;4.88,-1.38,;5.97,-2.47,;5.57,-3.96,;6.66,-5.05,;6.26,-6.53,;5.86,-8.02,;4.77,-6.13,;7.74,-6.93,;4.08,-4.36,;3.68,-5.84,;-1.28,-6.46,;-.51,-7.8,;-2.82,-6.46,)| Show InChI InChI=1S/C22H27F2N7O4S/c1-12(2)31-11-14(16-8-9-25-21(28-16)26-10-13(3)27-22(32)35-4)20(29-31)18-15(23)6-7-17(19(18)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Novartis AG
US Patent
| Assay Description B-Raf (V600E; 4 μM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2× final concentrations in assay buffer (50 mM Tris, pH 7.5, ... |
US Patent US9314464 (2016)
BindingDB Entry DOI: 10.7270/Q2J67FS0 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM221685
![PNG](/data/jpeg/tenK22/BindingDB_221685.png) (US10568884, Cpd 6 | US9314464, 6 | US9593100, Comp...)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1c(F)ccc(NS(C)(=O)=O)c1F)C(C)C |r,wD:5.5,(-7.74,6.48,;-6.41,5.71,;-5.08,6.48,;-5.08,8.02,;-3.74,5.71,;-3.74,4.17,;-5.08,3.4,;-2.41,3.4,;-2.41,1.86,;-1.08,1.09,;.26,1.86,;1.59,1.09,;1.59,-.45,;.26,-1.22,;-1.08,-.45,;.26,-2.76,;-.99,-3.66,;-.51,-5.13,;1.03,-5.13,;1.5,-3.66,;2.99,-3.27,;3.39,-1.78,;2.3,-.69,;4.88,-1.38,;5.97,-2.47,;5.57,-3.96,;6.66,-5.05,;6.26,-6.53,;5.86,-8.02,;4.77,-6.13,;7.74,-6.93,;4.08,-4.36,;3.68,-5.84,;-1.28,-6.46,;-.51,-7.8,;-2.82,-6.46,)| Show InChI InChI=1S/C22H27F2N7O4S/c1-12(2)31-11-14(16-8-9-25-21(28-16)26-10-13(3)27-22(32)35-4)20(29-31)18-15(23)6-7-17(19(18)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma, Inc.
US Patent
| Assay Description B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2× final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC... |
US Patent US9593099 (2017)
BindingDB Entry DOI: 10.7270/Q2BV7JPK |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM221685
![PNG](/data/jpeg/tenK22/BindingDB_221685.png) (US10568884, Cpd 6 | US9314464, 6 | US9593100, Comp...)Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1c(F)ccc(NS(C)(=O)=O)c1F)C(C)C |r,wD:5.5,(-7.74,6.48,;-6.41,5.71,;-5.08,6.48,;-5.08,8.02,;-3.74,5.71,;-3.74,4.17,;-5.08,3.4,;-2.41,3.4,;-2.41,1.86,;-1.08,1.09,;.26,1.86,;1.59,1.09,;1.59,-.45,;.26,-1.22,;-1.08,-.45,;.26,-2.76,;-.99,-3.66,;-.51,-5.13,;1.03,-5.13,;1.5,-3.66,;2.99,-3.27,;3.39,-1.78,;2.3,-.69,;4.88,-1.38,;5.97,-2.47,;5.57,-3.96,;6.66,-5.05,;6.26,-6.53,;5.86,-8.02,;4.77,-6.13,;7.74,-6.93,;4.08,-4.36,;3.68,-5.84,;-1.28,-6.46,;-.51,-7.8,;-2.82,-6.46,)| Show InChI InChI=1S/C22H27F2N7O4S/c1-12(2)31-11-14(16-8-9-25-21(28-16)26-10-13(3)27-22(32)35-4)20(29-31)18-15(23)6-7-17(19(18)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma, Inc.
US Patent
| Assay Description B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2× final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC... |
US Patent US9593100 (2017)
BindingDB Entry DOI: 10.7270/Q2765HDB |
More data for this Ligand-Target Pair | |