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22 molecules are shown

Compile data set for download or QSAR
Wt: 472.5
BDBM50232432
Wt: 528.6
BDBM50232433
Wt: 563.6
BDBM50232434
Wt: 498.3
BDBM50232422
Wt: 497.4
BDBM50232423
Wt: 565.4
BDBM50232424
Wt: 303.7
BDBM50232425
<<  First   |  Previous   |  Displayed 16 to 22 (of 22 total )

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50232432,50232433,50232434,50232422,50232423,50232424,50232425   
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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50232425
PNG
(CHEMBL4061639)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,19,21)
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0.290n/an/an/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232433
PNG
(CHEMBL4068514 | US10214537, Example 619)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C28H32N8O3/c1-18(37)34-12-11-33(27(38)28(34,2)3)21-6-4-5-19(15-21)24-16-22(25-26(29)30-17-32-36(24)25)23-7-10-31-35(23)20-8-13-39-14-9-20/h4-7,10,15-17,20H,8-9,11-14H2,1-3H3,(H2,29,30,32)
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5193-5208 (2017)

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


(Homo sapiens (Human))
BDBM50232424
PNG
(CHEMBL4097123)
Show SMILES COc1cc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)cc3)c(C)nc2cc1OC
Show InChI InChI=1S/C27H21F6N3O4/c1-14-22(8-15-9-23(38-2)24(39-3)13-21(15)34-14)40-20-6-4-18(5-7-20)35-25(37)36-19-11-16(26(28,29)30)10-17(12-19)27(31,32)33/h4-13H,1-3H3,(H2,35,36,37)
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n/an/a 370n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human c-RAF using MEK1 as substrate in presence of [33P]ATP by Hotspot assay


Eur J Med Chem 127: 413-423 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.006
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50232425
PNG
(CHEMBL4061639)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,19,21)
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n/an/a 0.662n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50232425
PNG
(CHEMBL4061639)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MAOA in Sprague-Dawley rat liver mitochondria using p-tyramine as substrate measured for 45 mins in presence of MAOB inhibitor selegili...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50232425
PNG
(CHEMBL4061639)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,19,21)
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n/an/a 0.661n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50232425
PNG
(CHEMBL4061639)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,19,21)
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n/an/a 1.40n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MAOB in Sprague-Dawley rat liver mitochondria using p-tyramine as substrate measured for 45 mins in presence of MAOA inhibitor clorgyli...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232432
PNG
(CHEMBL4065659)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C26H32N8O/c1-17-14-28-15-18(2)32(17)21-5-3-4-19(12-21)24-13-22(25-26(27)29-16-31-34(24)25)23-6-9-30-33(23)20-7-10-35-11-8-20/h3-6,9,12-13,16-18,20,28H,7-8,10-11,14-15H2,1-2H3,(H2,27,29,31)/t17-,18+
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232433
PNG
(CHEMBL4068514 | US10214537, Example 619)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C28H32N8O3/c1-18(37)34-12-11-33(27(38)28(34,2)3)21-6-4-5-19(15-21)24-16-22(25-26(29)30-17-32-36(24)25)23-7-10-31-35(23)20-8-13-39-14-9-20/h4-7,10,15-17,20H,8-9,11-14H2,1-3H3,(H2,29,30,32)
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n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232434
PNG
(CHEMBL4091410 | US10214537, Example 252)
Show SMILES CC(=O)N1CCN(CC1c1cccnc1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C31H33N9O2/c1-21(41)38-13-12-37(19-29(38)23-5-3-10-33-18-23)25-6-2-4-22(16-25)28-17-26(30-31(32)34-20-36-40(28)30)27-7-11-35-39(27)24-8-14-42-15-9-24/h2-7,10-11,16-18,20,24,29H,8-9,12-15,19H2,1H3,(H2,32,34,36)
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n/an/a 1.20n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232432
PNG
(CHEMBL4065659)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C26H32N8O/c1-17-14-28-15-18(2)32(17)21-5-3-4-19(12-21)24-13-22(25-26(27)29-16-31-34(24)25)23-6-9-30-33(23)20-7-10-35-11-8-20/h3-6,9,12-13,16-18,20,28H,7-8,10-11,14-15H2,1-2H3,(H2,27,29,31)/t17-,18+
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n/an/a 314n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as suppression of CD69 expression incubated for 60 mins


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232434
PNG
(CHEMBL4091410 | US10214537, Example 252)
Show SMILES CC(=O)N1CCN(CC1c1cccnc1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C31H33N9O2/c1-21(41)38-13-12-37(19-29(38)23-5-3-10-33-18-23)25-6-2-4-22(16-25)28-17-26(30-31(32)34-20-36-40(28)30)27-7-11-35-39(27)24-8-14-42-15-9-24/h2-7,10-11,16-18,20,24,29H,8-9,12-15,19H2,1H3,(H2,32,34,36)
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232433
PNG
(CHEMBL4068514 | US10214537, Example 619)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C28H32N8O3/c1-18(37)34-12-11-33(27(38)28(34,2)3)21-6-4-5-19(15-21)24-16-22(25-26(29)30-17-32-36(24)25)23-7-10-31-35(23)20-8-13-39-14-9-20/h4-7,10,15-17,20H,8-9,11-14H2,1-3H3,(H2,29,30,32)
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n/an/a 0.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232433
PNG
(CHEMBL4068514 | US10214537, Example 619)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C28H32N8O3/c1-18(37)34-12-11-33(27(38)28(34,2)3)21-6-4-5-19(15-21)24-16-22(25-26(29)30-17-32-36(24)25)23-7-10-31-35(23)20-8-13-39-14-9-20/h4-7,10,15-17,20H,8-9,11-14H2,1-3H3,(H2,29,30,32)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50232433
PNG
(CHEMBL4068514 | US10214537, Example 619)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C28H32N8O3/c1-18(37)34-12-11-33(27(38)28(34,2)3)21-6-4-5-19(15-21)24-16-22(25-26(29)30-17-32-36(24)25)23-7-10-31-35(23)20-8-13-39-14-9-20/h4-7,10,15-17,20H,8-9,11-14H2,1-3H3,(H2,29,30,32)
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n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2:PS as substrate after 30 mins by ADP-Glo assay


J Med Chem 60: 5193-5208 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50232433
PNG
(CHEMBL4068514 | US10214537, Example 619)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C28H32N8O3/c1-18(37)34-12-11-33(27(38)28(34,2)3)21-6-4-5-19(15-21)24-16-22(25-26(29)30-17-32-36(24)25)23-7-10-31-35(23)20-8-13-39-14-9-20/h4-7,10,15-17,20H,8-9,11-14H2,1-3H3,(H2,29,30,32)
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n/an/a 59n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2:PS as substrate after 30 mins by ADP-Glo assay


J Med Chem 60: 5193-5208 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50232433
PNG
(CHEMBL4068514 | US10214537, Example 619)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C28H32N8O3/c1-18(37)34-12-11-33(27(38)28(34,2)3)21-6-4-5-19(15-21)24-16-22(25-26(29)30-17-32-36(24)25)23-7-10-31-35(23)20-8-13-39-14-9-20/h4-7,10,15-17,20H,8-9,11-14H2,1-3H3,(H2,29,30,32)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) using PIP2:PS as substrate after 30 mins by ADP-Glo assay


J Med Chem 60: 5193-5208 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232433
PNG
(CHEMBL4068514 | US10214537, Example 619)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C28H32N8O3/c1-18(37)34-12-11-33(27(38)28(34,2)3)21-6-4-5-19(15-21)24-16-22(25-26(29)30-17-32-36(24)25)23-7-10-31-35(23)20-8-13-39-14-9-20/h4-7,10,15-17,20H,8-9,11-14H2,1-3H3,(H2,29,30,32)
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n/an/a 0.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5193-5208 (2017)

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


(Homo sapiens (Human))
BDBM50232422
PNG
(CHEMBL4073684)
Show SMILES COc1cc2cc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)c(C)nc2cc1OC
Show InChI InChI=1S/C25H21Cl2N3O4/c1-14-22(10-15-11-23(32-2)24(33-3)13-21(15)28-14)34-18-7-4-16(5-8-18)29-25(31)30-17-6-9-19(26)20(27)12-17/h4-13H,1-3H3,(H2,29,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human c-RAF using MEK1 as substrate in presence of [33P]ATP by Hotspot assay


Eur J Med Chem 127: 413-423 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.006
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232423
PNG
(CHEMBL4065090)
Show SMILES COc1cc2cc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c(C)nc2cc1OC
Show InChI InChI=1S/C26H22F3N3O4/c1-15-22(11-16-12-23(34-2)24(35-3)14-21(16)30-15)36-20-9-7-18(8-10-20)31-25(33)32-19-6-4-5-17(13-19)26(27,28)29/h4-14H,1-3H3,(H2,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human c-RAF using MEK1 as substrate in presence of [33P]ATP by Hotspot assay


Eur J Med Chem 127: 413-423 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.006
More data for this
Ligand-Target Pair