BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'herlyn' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM36523
PNG
(DW12)
Show SMILES Oc1ccc2n3[Ru](C#N)[n+]4cccc5c6C(=O)NC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C17H9N3O3.CN.Ru/c21-7-3-4-10-9(6-7)11-13-12(16(22)20-17(13)23)8-2-1-5-18-14(8)15(11)19-10;1-2;/h1-6H,(H3,18,19,20,21,22,23);;/q;;+2/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/a7.537



University of Pennsylvania



Assay Description
Fluorescence polarization-based kinase in vitro assay using human PI3K alpha purchased from Echelon Biosciences and p110 alpha/p85 alpha from Upstate...


ACS Chem Biol 3: 305-16 (2008)


Article DOI: 10.1021/cb800039y
BindingDB Entry DOI: 10.7270/Q26D5RB3
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
PDB

GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 13n/an/an/an/a7.022



Plexxikon



Assay Description
The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...


Proc Natl Acad Sci U S A 105: 3041-6 (2008)


Article DOI: 10.1073/pnas.0711741105
BindingDB Entry DOI: 10.7270/Q2SB441T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM36525
PNG
(EAd125)
Show SMILES CN1C(=O)c2c(C1=O)c1cc(F)c[n+]3[Ru](C#[O])n4c5ccc(O)cc5c2c4c13
Show InChI InChI=1S/C18H10FN3O3.CO.Ru/c1-22-17(24)13-10-4-7(19)6-20-15(10)16-12(14(13)18(22)25)9-5-8(23)2-3-11(9)21-16;1-2;/h2-6H,1H3,(H2,20,21,23,24,25);;/q;;+2/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/a7.537



University of Pennsylvania



Assay Description
Fluorescence polarization-based kinase in vitro assay using human PI3K alpha purchased from Echelon Biosciences and p110 alpha/p85 alpha from Upstate...


ACS Chem Biol 3: 305-16 (2008)


Article DOI: 10.1021/cb800039y
BindingDB Entry DOI: 10.7270/Q26D5RB3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM36522
PNG
(HB12)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3n3[Ru](C#[O])[n+]4cccc2c4c13
Show InChI InChI=1S/C17H9N3O2.CO.Ru/c21-16-12-9-5-3-7-18-14(9)15-11(13(12)17(22)20-16)8-4-1-2-6-10(8)19-15;1-2;/h1-7H,(H2,18,19,20,21,22);;/q;;+2/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/a7.537



University of Pennsylvania



Assay Description
Fluorescence polarization-based kinase in vitro assay using human PI3K alpha purchased from Echelon Biosciences and p110 alpha/p85 alpha from Upstate...


ACS Chem Biol 3: 305-16 (2008)


Article DOI: 10.1021/cb800039y
BindingDB Entry DOI: 10.7270/Q26D5RB3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (Human))
BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 130n/an/an/an/a7.522



Plexxikon



Assay Description
Enzyme activity was assayed using Z-LYTE Enzymatic Kinase Assay format (Invitrogen Corp., Carlsbad, CA) according to the manufacturer instructions.


Proc Natl Acad Sci U S A 105: 3041-6 (2008)


Article DOI: 10.1073/pnas.0711741105
BindingDB Entry DOI: 10.7270/Q2SB441T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 160n/an/an/an/a7.022



Plexxikon



Assay Description
The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...


Proc Natl Acad Sci U S A 105: 3041-6 (2008)


Article DOI: 10.1073/pnas.0711741105
BindingDB Entry DOI: 10.7270/Q2SB441T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50420785
PNG
(CHEMBL2087793)
Show SMILES Oc1c(Sc2ncc[nH]2)cc(NS(=O)(=O)c2cccs2)c2ccccc12
Show InChI InChI=1S/C17H13N3O3S3/c21-16-12-5-2-1-4-11(12)13(10-14(16)25-17-18-7-8-19-17)20-26(22,23)15-6-3-9-24-15/h1-10,20-21H,(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay


J Med Chem 55: 5220-30 (2012)


Article DOI: 10.1021/jm3004416
BindingDB Entry DOI: 10.7270/Q2ZC8451
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM36525
PNG
(EAd125)
Show SMILES CN1C(=O)c2c(C1=O)c1cc(F)c[n+]3[Ru](C#[O])n4c5ccc(O)cc5c2c4c13
Show InChI InChI=1S/C18H10FN3O3.CO.Ru/c1-22-17(24)13-10-4-7(19)6-20-15(10)16-12(14(13)18(22)25)9-5-8(23)2-3-11(9)21-16;1-2;/h2-6H,1H3,(H2,20,21,23,24,25);;/q;;+2/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/a7.537



University of Pennsylvania



Assay Description
Fluorescence polarization-based kinase in vitro assay using human PI3K alpha purchased from Echelon Biosciences and p110 alpha/p85 alpha from Upstate...


ACS Chem Biol 3: 305-16 (2008)


Article DOI: 10.1021/cb800039y
BindingDB Entry DOI: 10.7270/Q26D5RB3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50420791
PNG
(CHEMBL2088022)
Show SMILES Oc1c(Sc2nnc[nH]2)cc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C19H13F3N4O3S2/c20-19(21,22)11-5-7-12(8-6-11)31(28,29)26-15-9-16(30-18-23-10-24-25-18)17(27)14-4-2-1-3-13(14)15/h1-10,26-27H,(H,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay


J Med Chem 55: 5220-30 (2012)


Article DOI: 10.1021/jm3004416
BindingDB Entry DOI: 10.7270/Q2ZC8451
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50420796
PNG
(CHEMBL2030274)
Show SMILES Oc1c(Sc2nnc[nH]2)cc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H18N4O3S2/c29-23-20-9-5-4-8-19(20)21(14-22(23)32-24-25-15-26-27-24)28-33(30,31)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-15,28-29H,(H,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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 Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay


J Med Chem 55: 5220-30 (2012)


Article DOI: 10.1021/jm3004416
BindingDB Entry DOI: 10.7270/Q2ZC8451
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50420782
PNG
(CHEMBL2087792)
Show SMILES O=C1C(Sc2nnc[nH]2)=CC(=NS(=O)(=O)c2cccs2)c2ccccc12
Show InChI InChI=1S/C16H10N4O3S3/c21-15-11-5-2-1-4-10(11)12(8-13(15)25-16-17-9-18-19-16)20-26(22,23)14-6-3-7-24-14/h1-9H,(H,17,18,19)/b20-12+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 230n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay


J Med Chem 55: 5220-30 (2012)


Article DOI: 10.1021/jm3004416
BindingDB Entry DOI: 10.7270/Q2ZC8451
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50420781
PNG
(CHEMBL2030272)
Show SMILES Oc1c(Sc2nnc[nH]2)cc(NS(=O)(=O)c2cccs2)c2ccccc12
Show InChI InChI=1S/C16H12N4O3S3/c21-15-11-5-2-1-4-10(11)12(8-13(15)25-16-17-9-18-19-16)20-26(22,23)14-6-3-7-24-14/h1-9,20-21H,(H,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 260n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay


J Med Chem 55: 5220-30 (2012)


Article DOI: 10.1021/jm3004416
BindingDB Entry DOI: 10.7270/Q2ZC8451
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50420790
PNG
(CHEMBL2088021)
Show SMILES CC(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1cc(Sc2nnc[nH]2)c(O)c2ccccc12
Show InChI InChI=1S/C22H19N5O4S2/c1-13(28)27-9-8-14-10-15(6-7-19(14)27)33(30,31)26-18-11-20(32-22-23-12-24-25-22)21(29)17-5-3-2-4-16(17)18/h2-7,10-12,26,29H,8-9H2,1H3,(H,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 270n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay


J Med Chem 55: 5220-30 (2012)


Article DOI: 10.1021/jm3004416
BindingDB Entry DOI: 10.7270/Q2ZC8451
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50420787
PNG
(CHEMBL2030271)
Show SMILES Cn1nnnc1Sc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O
Show InChI InChI=1S/C16H13N5O3S3/c1-21-16(17-19-20-21)26-13-9-12(10-5-2-3-6-11(10)15(13)22)18-27(23,24)14-7-4-8-25-14/h2-9,18,22H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 320n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay


J Med Chem 55: 5220-30 (2012)


Article DOI: 10.1021/jm3004416
BindingDB Entry DOI: 10.7270/Q2ZC8451
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50420784
PNG
(CHEMBL2030469)
Show SMILES Oc1c(Br)cc(NS(=O)(=O)c2cccs2)c2ccccc12
Show InChI InChI=1S/C14H10BrNO3S2/c15-11-8-12(9-4-1-2-5-10(9)14(11)17)16-21(18,19)13-6-3-7-20-13/h1-8,16-17H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 340n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay


J Med Chem 55: 5220-30 (2012)


Article DOI: 10.1021/jm3004416
BindingDB Entry DOI: 10.7270/Q2ZC8451
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50420786
PNG
(CHEMBL2088018)
Show SMILES Oc1c(Sc2ccccn2)cc(NS(=O)(=O)c2cccs2)c2ccccc12
Show InChI InChI=1S/C19H14N2O3S3/c22-19-14-7-2-1-6-13(14)15(21-27(23,24)18-9-5-11-25-18)12-16(19)26-17-8-3-4-10-20-17/h1-12,21-22H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 350n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay


J Med Chem 55: 5220-30 (2012)


Article DOI: 10.1021/jm3004416
BindingDB Entry DOI: 10.7270/Q2ZC8451
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50420797
PNG
(CHEMBL2030281)
Show SMILES Oc1c(Sc2nnc[nH]2)cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc12
Show InChI InChI=1S/C22H16N4O3S2/c27-21-18-8-4-3-7-17(18)19(12-20(21)30-22-23-13-24-25-22)26-31(28,29)16-10-9-14-5-1-2-6-15(14)11-16/h1-13,26-27H,(H,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay


J Med Chem 55: 5220-30 (2012)


Article DOI: 10.1021/jm3004416
BindingDB Entry DOI: 10.7270/Q2ZC8451
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50420778
PNG
(CHEMBL2087789)
Show SMILES Cc1cc(C)c2c(n1)sn(C(=O)c1cccs1)c2=O
Show InChI InChI=1S/C13H10N2O2S2/c1-7-6-8(2)14-11-10(7)13(17)15(19-11)12(16)9-4-3-5-18-9/h3-6H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay


J Med Chem 55: 5220-30 (2012)


Article DOI: 10.1021/jm3004416
BindingDB Entry DOI: 10.7270/Q2ZC8451
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50420783
PNG
(CHEMBL2030468)
Show SMILES Oc1c(Cl)cc(NS(=O)(=O)c2cccs2)c2ccccc12
Show InChI InChI=1S/C14H10ClNO3S2/c15-11-8-12(9-4-1-2-5-10(9)14(11)17)16-21(18,19)13-6-3-7-20-13/h1-8,16-17H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 450n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay


J Med Chem 55: 5220-30 (2012)


Article DOI: 10.1021/jm3004416
BindingDB Entry DOI: 10.7270/Q2ZC8451
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM36524
PNG
(DW12Me)
Show SMILES CN1C(=O)c2c(C1=O)c1ccc[n+]3[Ru](C#N)n4c5ccc(O)cc5c2c4c13
Show InChI InChI=1S/C18H11N3O3.CN.Ru/c1-21-17(23)13-9-3-2-6-19-15(9)16-12(14(13)18(21)24)10-7-8(22)4-5-11(10)20-16;1-2;/h2-7H,1H3,(H2,19,20,22,23,24);;/q;;+2/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/a7.537



University of Pennsylvania



Assay Description
Fluorescence polarization-based kinase in vitro assay using human PI3K alpha purchased from Echelon Biosciences and p110 alpha/p85 alpha from Upstate...


ACS Chem Biol 3: 305-16 (2008)


Article DOI: 10.1021/cb800039y
BindingDB Entry DOI: 10.7270/Q26D5RB3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50420788
PNG
(CHEMBL2088019)
Show SMILES Oc1c(Sc2ccccc2)cc(NS(=O)(=O)c2cccs2)c2ccccc12
Show InChI InChI=1S/C20H15NO3S3/c22-20-16-10-5-4-9-15(16)17(21-27(23,24)19-11-6-12-25-19)13-18(20)26-14-7-2-1-3-8-14/h1-13,21-22H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 570n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay


J Med Chem 55: 5220-30 (2012)


Article DOI: 10.1021/jm3004416
BindingDB Entry DOI: 10.7270/Q2ZC8451
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50420794
PNG
(CHEMBL2088026)
Show SMILES Oc1c(Sc2nnc[nH]2)cc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c2ccccc12
Show InChI InChI=1S/C18H9F5N4O3S2/c19-11-12(20)14(22)17(15(23)13(11)21)32(29,30)27-9-5-10(31-18-24-6-25-26-18)16(28)8-4-2-1-3-7(8)9/h1-6,27-28H,(H,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 590n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay


J Med Chem 55: 5220-30 (2012)


Article DOI: 10.1021/jm3004416
BindingDB Entry DOI: 10.7270/Q2ZC8451
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50420795
PNG
(CHEMBL2088027)
Show SMILES Oc1ccc(O)n1-c1ccc(F)c(c1F)S(=O)(=O)Nc1cc(Sc2nnc[nH]2)c(O)c2ccccc12
Show InChI InChI=1S/C22H15F2N5O5S2/c23-13-5-6-15(29-17(30)7-8-18(29)31)19(24)21(13)36(33,34)28-14-9-16(35-22-25-10-26-27-22)20(32)12-4-2-1-3-11(12)14/h1-10,28,30-32H,(H,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 680n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay


J Med Chem 55: 5220-30 (2012)


Article DOI: 10.1021/jm3004416
BindingDB Entry DOI: 10.7270/Q2ZC8451
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM36525
PNG
(EAd125)
Show SMILES CN1C(=O)c2c(C1=O)c1cc(F)c[n+]3[Ru](C#[O])n4c5ccc(O)cc5c2c4c13
Show InChI InChI=1S/C18H10FN3O3.CO.Ru/c1-22-17(24)13-10-4-7(19)6-20-15(10)16-12(14(13)18(22)25)9-5-8(23)2-3-11(9)21-16;1-2;/h2-6H,1H3,(H2,20,21,23,24,25);;/q;;+2/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/a7.537



University of Pennsylvania



Assay Description
Fluorescence polarization-based kinase in vitro assay using human PI3K alpha purchased from Echelon Biosciences and p110 alpha/p85 alpha from Upstate...


ACS Chem Biol 3: 305-16 (2008)


Article DOI: 10.1021/cb800039y
BindingDB Entry DOI: 10.7270/Q26D5RB3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM36523
PNG
(DW12)
Show SMILES Oc1ccc2n3[Ru](C#N)[n+]4cccc5c6C(=O)NC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C17H9N3O3.CN.Ru/c21-7-3-4-10-9(6-7)11-13-12(16(22)20-17(13)23)8-2-1-5-18-14(8)15(11)19-10;1-2;/h1-6H,(H3,18,19,20,21,22,23);;/q;;+2/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 750n/an/an/an/a7.537



University of Pennsylvania



Assay Description
Fluorescence polarization-based kinase in vitro assay using human PI3K alpha purchased from Echelon Biosciences and p110 alpha/p85 alpha from Upstate...


ACS Chem Biol 3: 305-16 (2008)


Article DOI: 10.1021/cb800039y
BindingDB Entry DOI: 10.7270/Q26D5RB3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50420775
PNG
(CHEMBL581146 | TCMDC-125324)
Show SMILES Oc1c(cc(Cl)c2cccnc12)C(Nc1ccccn1)c1ccco1
Show InChI InChI=1/C19H14ClN3O2/c20-14-11-13(19(24)18-12(14)5-3-9-22-18)17(15-6-4-10-25-15)23-16-7-1-2-8-21-16/h1-11,17,24H,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay


J Med Chem 55: 5220-30 (2012)


Article DOI: 10.1021/jm3004416
BindingDB Entry DOI: 10.7270/Q2ZC8451
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50420779
PNG
(CHEMBL2087788)
Show SMILES Fc1ccc(cc1)C(=O)\C=C\S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H10ClFO3S/c16-12-3-7-14(8-4-12)21(19,20)10-9-15(18)11-1-5-13(17)6-2-11/h1-10H/b10-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay


J Med Chem 55: 5220-30 (2012)


Article DOI: 10.1021/jm3004416
BindingDB Entry DOI: 10.7270/Q2ZC8451
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM36522
PNG
(HB12)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3n3[Ru](C#[O])[n+]4cccc2c4c13
Show InChI InChI=1S/C17H9N3O2.CO.Ru/c21-16-12-9-5-3-7-18-14(9)15-11(13(12)17(22)20-16)8-4-1-2-6-10(8)19-15;1-2;/h1-7H,(H2,18,19,20,21,22);;/q;;+2/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/a7.537



University of Pennsylvania



Assay Description
Fluorescence polarization-based kinase in vitro assay using human PI3K alpha purchased from Echelon Biosciences and p110 alpha/p85 alpha from Upstate...


ACS Chem Biol 3: 305-16 (2008)


Article DOI: 10.1021/cb800039y
BindingDB Entry DOI: 10.7270/Q26D5RB3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM36524
PNG
(DW12Me)
Show SMILES CN1C(=O)c2c(C1=O)c1ccc[n+]3[Ru](C#N)n4c5ccc(O)cc5c2c4c13
Show InChI InChI=1S/C18H11N3O3.CN.Ru/c1-21-17(23)13-9-3-2-6-19-15(9)16-12(14(13)18(21)24)10-7-8(22)4-5-11(10)20-16;1-2;/h2-7H,1H3,(H2,19,20,22,23,24);;/q;;+2/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/a7.537



University of Pennsylvania



Assay Description
Fluorescence polarization-based kinase in vitro assay using human PI3K alpha purchased from Echelon Biosciences and p110 alpha/p85 alpha from Upstate...


ACS Chem Biol 3: 305-16 (2008)


Article DOI: 10.1021/cb800039y
BindingDB Entry DOI: 10.7270/Q26D5RB3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/a7.522



Plexxikon



Assay Description
Enzyme activity was assayed using Z-LYTE Enzymatic Kinase Assay format (Invitrogen Corp., Carlsbad, CA) according to the manufacturer instructions.


Proc Natl Acad Sci U S A 105: 3041-6 (2008)


Article DOI: 10.1073/pnas.0711741105
BindingDB Entry DOI: 10.7270/Q2SB441T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50420789
PNG
(CHEMBL2088020)
Show SMILES Oc1c(Sc2cnn[nH]2)cc(NS(=O)(=O)c2cccs2)c2ccccc12
Show InChI InChI=1S/C16H12N4O3S3/c21-16-11-5-2-1-4-10(11)12(8-13(16)25-14-9-17-20-18-14)19-26(22,23)15-6-3-7-24-15/h1-9,19,21H,(H,17,18,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.47E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay


J Med Chem 55: 5220-30 (2012)


Article DOI: 10.1021/jm3004416
BindingDB Entry DOI: 10.7270/Q2ZC8451
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Plexxikon



Assay Description
Enzyme activity was assayed using Z-LYTE Enzymatic Kinase Assay format (Invitrogen Corp., Carlsbad, CA) according to the manufacturer instructions.


Proc Natl Acad Sci U S A 105: 3041-6 (2008)


Article DOI: 10.1073/pnas.0711741105
BindingDB Entry DOI: 10.7270/Q2SB441T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50420792
PNG
(CHEMBL2088024)
Show SMILES CCCCCCCCS(=O)(=O)Nc1cc(Sc2nnc[nH]2)c(O)c2ccccc12
Show InChI InChI=1S/C20H26N4O3S2/c1-2-3-4-5-6-9-12-29(26,27)24-17-13-18(28-20-21-14-22-23-20)19(25)16-11-8-7-10-15(16)17/h7-8,10-11,13-14,24-25H,2-6,9,12H2,1H3,(H,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.66E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay


J Med Chem 55: 5220-30 (2012)


Article DOI: 10.1021/jm3004416
BindingDB Entry DOI: 10.7270/Q2ZC8451
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Plexxikon



Assay Description
Enzyme activity was assayed using Z-LYTE Enzymatic Kinase Assay format (Invitrogen Corp., Carlsbad, CA) according to the manufacturer instructions.


Proc Natl Acad Sci U S A 105: 3041-6 (2008)


Article DOI: 10.1073/pnas.0711741105
BindingDB Entry DOI: 10.7270/Q2SB441T
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/a7.522



Plexxikon



Assay Description
Enzyme activity was assayed using Z-LYTE Enzymatic Kinase Assay format (Invitrogen Corp., Carlsbad, CA) according to the manufacturer instructions.


Proc Natl Acad Sci U S A 105: 3041-6 (2008)


Article DOI: 10.1073/pnas.0711741105
BindingDB Entry DOI: 10.7270/Q2SB441T
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Plexxikon



Assay Description
Enzyme activity was assayed using Z-LYTE Enzymatic Kinase Assay format (Invitrogen Corp., Carlsbad, CA) according to the manufacturer instructions.


Proc Natl Acad Sci U S A 105: 3041-6 (2008)


Article DOI: 10.1073/pnas.0711741105
BindingDB Entry DOI: 10.7270/Q2SB441T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50420776
PNG
(CHEMBL2087791)
Show SMILES Oc1c(ccc2cccnc12)C(Nc1cccnc1)c1ccsc1
Show InChI InChI=1/C19H15N3OS/c23-19-16(6-5-13-3-1-9-21-18(13)19)17(14-7-10-24-12-14)22-15-4-2-8-20-11-15/h1-12,17,22-23H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay


J Med Chem 55: 5220-30 (2012)


Article DOI: 10.1021/jm3004416
BindingDB Entry DOI: 10.7270/Q2ZC8451
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50420798
PNG
(CHEMBL2088023)
Show SMILES CCCCCCCCCCS(=O)(=O)Nc1cc(Sc2nnc[nH]2)c(O)c2ccccc12
Show InChI InChI=1S/C22H30N4O3S2/c1-2-3-4-5-6-7-8-11-14-31(28,29)26-19-15-20(30-22-23-16-24-25-22)21(27)18-13-10-9-12-17(18)19/h9-10,12-13,15-16,26-27H,2-8,11,14H2,1H3,(H,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay


J Med Chem 55: 5220-30 (2012)


Article DOI: 10.1021/jm3004416
BindingDB Entry DOI: 10.7270/Q2ZC8451
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.30E+3n/an/an/an/a7.522



Plexxikon



Assay Description
Enzyme activity was assayed using Z-LYTE Enzymatic Kinase Assay format (Invitrogen Corp., Carlsbad, CA) according to the manufacturer instructions.


Proc Natl Acad Sci U S A 105: 3041-6 (2008)


Article DOI: 10.1073/pnas.0711741105
BindingDB Entry DOI: 10.7270/Q2SB441T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Plexxikon



Assay Description
Enzyme activity was assayed using Z-LYTE Enzymatic Kinase Assay format (Invitrogen Corp., Carlsbad, CA) according to the manufacturer instructions.


Proc Natl Acad Sci U S A 105: 3041-6 (2008)


Article DOI: 10.1073/pnas.0711741105
BindingDB Entry DOI: 10.7270/Q2SB441T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50420780
PNG
(CHEMBL2087787)
Show SMILES COc1cc(cc(Br)c1O)C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1/C22H17BrClN3O3/c1-30-17-10-12(9-15(23)22(17)29)19(27-18-6-2-3-7-25-18)14-11-16(24)13-5-4-8-26-20(13)21(14)28/h2-11,19,28-29H,1H3,(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay


J Med Chem 55: 5220-30 (2012)


Article DOI: 10.1021/jm3004416
BindingDB Entry DOI: 10.7270/Q2ZC8451
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Plexxikon



Assay Description
Enzyme activity was assayed using Z-LYTE Enzymatic Kinase Assay format (Invitrogen Corp., Carlsbad, CA) according to the manufacturer instructions.


Proc Natl Acad Sci U S A 105: 3041-6 (2008)


Article DOI: 10.1073/pnas.0711741105
BindingDB Entry DOI: 10.7270/Q2SB441T
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Plexxikon



Assay Description
Enzyme activity was assayed using Z-LYTE Enzymatic Kinase Assay format (Invitrogen Corp., Carlsbad, CA) according to the manufacturer instructions.


Proc Natl Acad Sci U S A 105: 3041-6 (2008)


Article DOI: 10.1073/pnas.0711741105
BindingDB Entry DOI: 10.7270/Q2SB441T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50420777
PNG
(CHEMBL2087790)
Show SMILES COc1ccc(cc1)C(N1CCOCC1)c1ccc2cccnc2c1O
Show InChI InChI=1/C21H22N2O3/c1-25-17-7-4-16(5-8-17)20(23-11-13-26-14-12-23)18-9-6-15-3-2-10-22-19(15)21(18)24/h2-10,20,24H,11-14H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay


J Med Chem 55: 5220-30 (2012)


Article DOI: 10.1021/jm3004416
BindingDB Entry DOI: 10.7270/Q2ZC8451
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM36525
PNG
(EAd125)
Show SMILES CN1C(=O)c2c(C1=O)c1cc(F)c[n+]3[Ru](C#[O])n4c5ccc(O)cc5c2c4c13
Show InChI InChI=1S/C18H10FN3O3.CO.Ru/c1-22-17(24)13-10-4-7(19)6-20-15(10)16-12(14(13)18(22)25)9-5-8(23)2-3-11(9)21-16;1-2;/h2-6H,1H3,(H2,20,21,23,24,25);;/q;;+2/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/a7.537



University of Pennsylvania



Assay Description
Fluorescence polarization-based kinase in vitro assay using human PI3K alpha purchased from Echelon Biosciences and p110 alpha/p85 alpha from Upstate...


ACS Chem Biol 3: 305-16 (2008)


Article DOI: 10.1021/cb800039y
BindingDB Entry DOI: 10.7270/Q26D5RB3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50420793
PNG
(CHEMBL2088025)
Show SMILES Oc1c(Sc2nnc[nH]2)cc(NS(=O)(=O)c2c(F)ccc(N(Cc3ccccc3)Cc3ccccc3)c2F)c2ccccc12
Show InChI InChI=1S/C32H25F2N5O3S2/c33-25-15-16-27(39(18-21-9-3-1-4-10-21)19-22-11-5-2-6-12-22)29(34)31(25)44(41,42)38-26-17-28(43-32-35-20-36-37-32)30(40)24-14-8-7-13-23(24)26/h1-17,20,38,40H,18-19H2,(H,35,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay


J Med Chem 55: 5220-30 (2012)


Article DOI: 10.1021/jm3004416
BindingDB Entry DOI: 10.7270/Q2ZC8451
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM80732
PNG
(MLS001221393 | N-(4-hydroxy-1-naphthalenyl)-2-thio...)
Show SMILES Oc1ccc(NS(=O)(=O)c2cccs2)c2ccccc12
Show InChI InChI=1S/C14H11NO3S2/c16-13-8-7-12(10-4-1-2-5-11(10)13)15-20(17,18)14-6-3-9-19-14/h1-9,15-16H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay


J Med Chem 55: 5220-30 (2012)


Article DOI: 10.1021/jm3004416
BindingDB Entry DOI: 10.7270/Q2ZC8451
More data for this
Ligand-Target Pair