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Compile Data Set for Download or QSAR

Found 7 hits of ic50 data for polymerid = 8117   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50428286
PNG
(DABRAFENIB | GSK2118436A)
Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F
Show InChI InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)
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n/an/a 26n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive binding affinity to ARAF in human A375 cells after 15 mins in presence of ATP analogue


J Med Chem 58: 4165-79 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM192503
PNG
(US9187474, 18)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)C)ccc1F
Show InChI InChI=1S/C23H28FN5O/c1-14-17(10-15-13-27-21(25-5)12-20(15)28-14)18-11-16(6-7-19(18)24)29-22(30)26-9-8-23(2,3)4/h6-7,10-13H,8-9H2,1-5H3,(H,25,27)(H2,26,29,30)
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US Patent
n/an/a 31n/an/an/an/an/an/a



Deciphera Pharmaceuticals, LLC; Eli Lilly and Company

US Patent


Assay Description
Sample preparation: A375 cells from ATCC are lysed by sonication in commercially available lysis buffer, cleared by centrifugation, and the resulting...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50096279
PNG
(CHEMBL3577124)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+
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n/an/a 44n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive binding affinity to ARAF in human A375 cells after 15 mins in presence of ATP analogue


J Med Chem 58: 4165-79 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM192504
PNG
(US9187474, 76)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)F)c(F)cc1C
Show InChI InChI=1S/C23H27F2N5O/c1-13-8-18(24)20(30-22(31)27-7-6-23(3,4)25)10-16(13)17-9-15-12-28-21(26-5)11-19(15)29-14(17)2/h8-12H,6-7H2,1-5H3,(H,26,28)(H2,27,30,31)
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US Patent
n/an/a 120n/an/an/an/an/an/a



Deciphera Pharmaceuticals, LLC; Eli Lilly and Company

US Patent


Assay Description
Sample preparation: A375 cells from ATCC are lysed by sonication in commercially available lysis buffer, cleared by centrifugation, and the resulting...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US9388165, Refer...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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n/an/a 950n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive binding affinity to ARAF in human A375 cells after 15 mins in presence of ATP analogue


J Med Chem 58: 4165-79 (2015)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50135286
PNG
(CHEMBL3745885)
Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human ARAF using MEK1 as substrate


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM50401152
PNG
(CHEMBL2205766)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
Show InChI InChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(8-17-9-12)10-4-5-21-13(7-10)18-14(16)19-21/h4-9,20H,1-3H3,(H2,16,19)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of ARAF


Bioorg Med Chem Lett 22: 4613-8 (2012)

More data for this
Ligand-Target Pair