Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50004631 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)) | BDBM50485033
(CHEMBL2023502)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3cnn(C)c3)nc2n(C)c1=O |(13.75,-37.45,;12.42,-36.67,;11.08,-37.45,;9.76,-36.68,;8.98,-35.34,;10.52,-35.34,;8.42,-37.46,;7.09,-36.69,;7.08,-35.14,;5.74,-34.38,;4.42,-35.14,;3.08,-34.38,;4.42,-36.69,;5.75,-37.46,;5.75,-39,;3.08,-37.46,;1.76,-36.68,;.43,-37.45,;-.9,-36.67,;-2.23,-37.44,;-2.23,-38.98,;-3.57,-39.75,;-4.82,-38.87,;-4.86,-37.33,;-6.33,-36.88,;-7.21,-38.15,;-8.75,-38.18,;-6.28,-39.37,;-.91,-39.74,;.42,-38.98,;1.76,-39.75,;1.76,-41.29,;3.09,-38.99,;4.42,-39.75,)| Show InChI InChI=1S/C21H21F2N7O3S/c1-4-7-34(32,33)28-16-6-5-15(22)17(18(16)23)14-8-12-9-24-21(26-13-10-25-29(2)11-13)27-19(12)30(3)20(14)31/h5-6,8-11,28H,4,7H2,1-3H3,(H,24,26,27) | 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 | 0.400 | 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 assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ... |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485015
(CHEMBL2023500)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(14.17,-24.55,;12.84,-23.77,;11.5,-24.55,;10.18,-23.78,;9.4,-22.44,;10.94,-22.44,;8.85,-24.56,;7.52,-23.79,;7.51,-22.24,;6.17,-21.48,;4.84,-22.24,;3.51,-21.48,;4.84,-23.79,;6.18,-24.56,;6.18,-26.1,;3.51,-24.56,;2.18,-23.78,;.85,-24.55,;-.47,-23.77,;-1.8,-24.54,;-1.8,-26.08,;-3.13,-26.85,;-4.47,-26.08,;-4.46,-24.54,;-5.79,-23.77,;-7.13,-24.54,;-7.13,-26.09,;-5.79,-26.85,;-.48,-26.84,;.84,-26.08,;2.18,-26.85,;2.18,-28.39,;3.51,-26.09,;4.85,-26.85,)| Show InChI InChI=1S/C23H21F2N5O3S/c1-3-11-34(32,33)29-18-10-9-17(24)19(20(18)25)16-12-14-13-26-23(27-15-7-5-4-6-8-15)28-21(14)30(2)22(16)31/h4-10,12-13,29H,3,11H2,1-2H3,(H,26,27,28) | 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 | 0.5 | 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 assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ... |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485028
(CHEMBL2023501)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3cccnc3)nc2n(C)c1=O |(39.5,-24.7,;38.16,-23.92,;36.83,-24.7,;35.5,-23.93,;34.72,-22.59,;36.26,-22.59,;34.17,-24.71,;32.84,-23.94,;32.83,-22.39,;31.49,-21.63,;30.16,-22.39,;28.83,-21.63,;30.16,-23.94,;31.5,-24.71,;31.5,-26.25,;28.83,-24.71,;27.5,-23.93,;26.17,-24.7,;24.84,-23.92,;23.52,-24.69,;23.52,-26.23,;22.18,-27,;20.85,-26.23,;19.53,-27,;18.19,-26.24,;18.19,-24.7,;19.52,-23.92,;20.86,-24.69,;24.84,-26.99,;26.16,-26.23,;27.5,-27,;27.5,-28.54,;28.83,-26.24,;30.17,-27,)| Show InChI InChI=1S/C22H20F2N6O3S/c1-3-9-34(32,33)29-17-7-6-16(23)18(19(17)24)15-10-13-11-26-22(27-14-5-4-8-25-12-14)28-20(13)30(2)21(15)31/h4-8,10-12,29H,3,9H2,1-2H3,(H,26,27,28) | 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 | 0.5 | 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 assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ... |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485033
(CHEMBL2023502)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3cnn(C)c3)nc2n(C)c1=O |(13.75,-37.45,;12.42,-36.67,;11.08,-37.45,;9.76,-36.68,;8.98,-35.34,;10.52,-35.34,;8.42,-37.46,;7.09,-36.69,;7.08,-35.14,;5.74,-34.38,;4.42,-35.14,;3.08,-34.38,;4.42,-36.69,;5.75,-37.46,;5.75,-39,;3.08,-37.46,;1.76,-36.68,;.43,-37.45,;-.9,-36.67,;-2.23,-37.44,;-2.23,-38.98,;-3.57,-39.75,;-4.82,-38.87,;-4.86,-37.33,;-6.33,-36.88,;-7.21,-38.15,;-8.75,-38.18,;-6.28,-39.37,;-.91,-39.74,;.42,-38.98,;1.76,-39.75,;1.76,-41.29,;3.09,-38.99,;4.42,-39.75,)| Show InChI InChI=1S/C21H21F2N7O3S/c1-4-7-34(32,33)28-16-6-5-15(22)17(18(16)23)14-8-12-9-24-21(26-13-10-25-29(2)11-13)27-19(12)30(3)20(14)31/h5-6,8-11,28H,4,7H2,1-3H3,(H,24,26,27) | 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 | 1 | 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 in human MALME-3M cells assessed as reduction in basal ERK1/2 phosphorylation incubated for 1 hr |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485024
(CHEMBL2023342)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(NCC3CC3)nc2n(C)c1=O |(56.32,-.34,;54.99,.43,;53.65,-.34,;52.32,.43,;51.54,1.77,;53.08,1.77,;51,-.35,;49.66,.42,;49.66,1.97,;48.32,2.73,;46.99,1.97,;45.65,2.73,;46.99,.42,;48.32,-.35,;48.32,-1.89,;45.65,-.35,;44.33,.43,;42.99,-.34,;41.67,.44,;40.34,-.33,;40.34,-1.87,;39.01,-2.64,;37.67,-1.87,;36.34,-2.64,;34.8,-2.65,;35.57,-3.98,;41.66,-2.63,;42.98,-1.87,;44.32,-2.64,;44.32,-4.18,;45.65,-1.88,;46.99,-2.64,)| Show InChI InChI=1S/C21H23F2N5O3S/c1-3-8-32(30,31)27-16-7-6-15(22)17(18(16)23)14-9-13-11-25-21(24-10-12-4-5-12)26-19(13)28(2)20(14)29/h6-7,9,11-12,27H,3-5,8,10H2,1-2H3,(H,24,25,26) | 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 | 3 | 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 assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ... |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485028
(CHEMBL2023501)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3cccnc3)nc2n(C)c1=O |(39.5,-24.7,;38.16,-23.92,;36.83,-24.7,;35.5,-23.93,;34.72,-22.59,;36.26,-22.59,;34.17,-24.71,;32.84,-23.94,;32.83,-22.39,;31.49,-21.63,;30.16,-22.39,;28.83,-21.63,;30.16,-23.94,;31.5,-24.71,;31.5,-26.25,;28.83,-24.71,;27.5,-23.93,;26.17,-24.7,;24.84,-23.92,;23.52,-24.69,;23.52,-26.23,;22.18,-27,;20.85,-26.23,;19.53,-27,;18.19,-26.24,;18.19,-24.7,;19.52,-23.92,;20.86,-24.69,;24.84,-26.99,;26.16,-26.23,;27.5,-27,;27.5,-28.54,;28.83,-26.24,;30.17,-27,)| Show InChI InChI=1S/C22H20F2N6O3S/c1-3-9-34(32,33)29-17-7-6-16(23)18(19(17)24)15-10-13-11-26-22(27-14-5-4-8-25-12-14)28-20(13)30(2)21(15)31/h4-8,10-12,29H,3,9H2,1-2H3,(H,26,27,28) | 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 | 3 | 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 in human MALME-3M cells assessed as reduction in basal ERK1/2 phosphorylation incubated for 1 hr |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485015
(CHEMBL2023500)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(14.17,-24.55,;12.84,-23.77,;11.5,-24.55,;10.18,-23.78,;9.4,-22.44,;10.94,-22.44,;8.85,-24.56,;7.52,-23.79,;7.51,-22.24,;6.17,-21.48,;4.84,-22.24,;3.51,-21.48,;4.84,-23.79,;6.18,-24.56,;6.18,-26.1,;3.51,-24.56,;2.18,-23.78,;.85,-24.55,;-.47,-23.77,;-1.8,-24.54,;-1.8,-26.08,;-3.13,-26.85,;-4.47,-26.08,;-4.46,-24.54,;-5.79,-23.77,;-7.13,-24.54,;-7.13,-26.09,;-5.79,-26.85,;-.48,-26.84,;.84,-26.08,;2.18,-26.85,;2.18,-28.39,;3.51,-26.09,;4.85,-26.85,)| Show InChI InChI=1S/C23H21F2N5O3S/c1-3-11-34(32,33)29-18-10-9-17(24)19(20(18)25)16-12-14-13-26-23(27-15-7-5-4-6-8-15)28-21(14)30(2)22(16)31/h4-10,12-13,29H,3,11H2,1-2H3,(H,26,27,28) | 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 | 5 | 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 in human MALME-3M cells assessed as reduction in basal ERK1/2 phosphorylation incubated for 1 hr |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485025
(CHEMBL2023497)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(NCCO)nc2n(C)c1=O |(10.92,-12.49,;9.59,-11.72,;8.25,-12.5,;6.93,-11.73,;6.15,-10.38,;7.69,-10.38,;5.59,-12.51,;4.27,-11.73,;4.26,-10.18,;2.92,-9.42,;1.59,-10.19,;.26,-9.42,;1.59,-11.73,;2.93,-12.51,;2.93,-14.05,;.25,-12.5,;-1.07,-11.72,;-2.4,-12.49,;-3.73,-11.72,;-5.05,-12.49,;-5.05,-14.03,;-6.39,-14.79,;-7.72,-14.03,;-9.06,-14.79,;-10.39,-14.03,;-3.73,-14.79,;-2.41,-14.03,;-1.07,-14.8,;-1.07,-16.34,;.26,-14.03,;1.59,-14.8,)| Show InChI InChI=1S/C19H21F2N5O4S/c1-3-8-31(29,30)25-14-5-4-13(20)15(16(14)21)12-9-11-10-23-19(22-6-7-27)24-17(11)26(2)18(12)28/h4-5,9-10,25,27H,3,6-8H2,1-2H3,(H,22,23,24) | 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 | 6 | 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 assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ... |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485026
(CHEMBL2023498)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(NCCCO)nc2n(C)c1=O |(34.55,-12.88,;33.22,-12.1,;31.89,-12.88,;30.56,-12.11,;29.78,-10.76,;31.32,-10.76,;29.23,-12.89,;27.89,-12.12,;27.89,-10.56,;26.55,-9.8,;25.22,-10.57,;23.88,-9.8,;25.22,-12.12,;26.55,-12.89,;26.55,-14.43,;23.88,-12.88,;22.57,-12.1,;21.23,-12.88,;19.91,-12.1,;18.57,-12.87,;18.57,-14.41,;17.24,-15.18,;15.9,-14.41,;14.57,-15.18,;13.23,-14.41,;11.9,-15.18,;19.9,-15.17,;21.22,-14.41,;22.56,-15.18,;22.56,-16.72,;23.89,-14.42,;25.22,-15.18,)| Show InChI InChI=1S/C20H23F2N5O4S/c1-3-9-32(30,31)26-15-6-5-14(21)16(17(15)22)13-10-12-11-24-20(23-7-4-8-28)25-18(12)27(2)19(13)29/h5-6,10-11,26,28H,3-4,7-9H2,1-2H3,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 7 | 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 assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ... |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485030
(CHEMBL2023341)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(NC)nc2n(C)c1=O |(31.39,-.05,;30.06,.72,;28.72,-.05,;27.4,.71,;26.62,2.06,;28.16,2.06,;26.07,-.06,;24.73,.71,;24.73,2.26,;23.39,3.02,;22.06,2.25,;20.73,3.02,;22.06,.71,;23.4,-.07,;23.39,-1.61,;20.72,-.06,;19.4,.72,;18.07,-.05,;16.75,.72,;15.42,-.04,;15.42,-1.58,;14.08,-2.35,;12.75,-1.59,;16.74,-2.34,;18.06,-1.59,;19.4,-2.36,;19.4,-3.9,;20.73,-1.59,;22.06,-2.36,)| Show InChI InChI=1S/C18H19F2N5O3S/c1-4-7-29(27,28)24-13-6-5-12(19)14(15(13)20)11-8-10-9-22-18(21-2)23-16(10)25(3)17(11)26/h5-6,8-9,24H,4,7H2,1-3H3,(H,21,22,23) | 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 | 9 | 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 assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ... |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485023
(CHEMBL2023340)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(N)nc2n(C)c1=O |(9.34,-.05,;8.01,.72,;6.67,-.05,;5.35,.71,;4.57,2.06,;6.11,2.06,;4.01,-.06,;2.68,.71,;2.67,2.26,;1.34,3.02,;.01,2.25,;-1.32,3.02,;.01,.71,;1.34,-.07,;1.34,-1.61,;-1.32,-.06,;-2.65,.72,;-3.98,-.05,;-5.31,.72,;-6.64,-.04,;-6.64,-1.58,;-7.97,-2.35,;-5.31,-2.34,;-3.99,-1.59,;-2.65,-2.36,;-2.65,-3.9,;-1.32,-1.59,;.02,-2.36,)| Show InChI InChI=1S/C17H17F2N5O3S/c1-3-6-28(26,27)23-12-5-4-11(18)13(14(12)19)10-7-9-8-21-17(20)22-15(9)24(2)16(10)25/h4-5,7-8,23H,3,6H2,1-2H3,(H2,20,21,22) | 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 | 10 | 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 assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ... |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485029
(CHEMBL2023334)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnccc2n(CCc2ccccc2)c1=O |(8.36,-21.46,;7.02,-20.69,;5.69,-21.46,;4.37,-20.7,;3.58,-19.35,;5.12,-19.35,;3.03,-21.47,;1.7,-20.7,;1.69,-19.15,;.35,-18.39,;-.98,-19.16,;-2.31,-18.39,;-.98,-20.7,;.36,-21.47,;.36,-23.02,;-2.31,-21.47,;-3.64,-20.69,;-4.97,-21.46,;-6.29,-20.69,;-7.62,-21.45,;-7.62,-22.99,;-6.3,-23.76,;-4.98,-22.99,;-3.64,-23.77,;-3.64,-25.31,;-2.3,-26.08,;-2.3,-27.62,;-3.64,-28.39,;-3.64,-29.93,;-2.3,-30.7,;-.97,-29.92,;-.97,-28.38,;-2.31,-23,;-.97,-23.77,)| Show InChI InChI=1S/C25H23F2N3O3S/c1-2-14-34(32,33)29-21-9-8-20(26)23(24(21)27)19-15-18-16-28-12-10-22(18)30(25(19)31)13-11-17-6-4-3-5-7-17/h3-10,12,15-16,29H,2,11,13-14H2,1H3 | 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 | 13 | 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 assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ... |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485027
(CHEMBL2023499)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(NC3CCOCC3)nc2n(C)c1=O |(59.79,-12.06,;58.46,-11.29,;57.12,-12.06,;55.8,-11.3,;55.02,-9.95,;56.56,-9.95,;54.46,-12.07,;53.14,-11.3,;53.13,-9.75,;51.79,-8.99,;50.46,-9.76,;49.13,-8.99,;50.46,-11.3,;51.8,-12.08,;51.8,-13.62,;49.12,-12.07,;47.8,-11.29,;46.47,-12.06,;45.14,-11.29,;43.82,-12.05,;43.82,-13.59,;42.48,-14.36,;41.15,-13.6,;41.15,-12.06,;39.83,-11.29,;38.49,-12.05,;38.48,-13.6,;39.82,-14.37,;45.14,-14.35,;46.46,-13.6,;47.8,-14.37,;47.8,-15.91,;49.13,-13.6,;50.46,-14.37,)| Show InChI InChI=1S/C22H25F2N5O4S/c1-3-10-34(31,32)28-17-5-4-16(23)18(19(17)24)15-11-13-12-25-22(26-14-6-8-33-9-7-14)27-20(13)29(2)21(15)30/h4-5,11-12,14,28H,3,6-10H2,1-2H3,(H,25,26,27) | 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 | 15 | 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 assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ... |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485024
(CHEMBL2023342)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(NCC3CC3)nc2n(C)c1=O |(56.32,-.34,;54.99,.43,;53.65,-.34,;52.32,.43,;51.54,1.77,;53.08,1.77,;51,-.35,;49.66,.42,;49.66,1.97,;48.32,2.73,;46.99,1.97,;45.65,2.73,;46.99,.42,;48.32,-.35,;48.32,-1.89,;45.65,-.35,;44.33,.43,;42.99,-.34,;41.67,.44,;40.34,-.33,;40.34,-1.87,;39.01,-2.64,;37.67,-1.87,;36.34,-2.64,;34.8,-2.65,;35.57,-3.98,;41.66,-2.63,;42.98,-1.87,;44.32,-2.64,;44.32,-4.18,;45.65,-1.88,;46.99,-2.64,)| Show InChI InChI=1S/C21H23F2N5O3S/c1-3-8-32(30,31)27-16-7-6-15(22)17(18(16)23)14-9-13-11-25-21(24-10-12-4-5-12)26-19(13)28(2)20(14)29/h6-7,9,11-12,27H,3-5,8,10H2,1-2H3,(H,24,25,26) | 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 | 27 | 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 in human MALME-3M cells assessed as reduction in basal ERK1/2 phosphorylation incubated for 1 hr |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485025
(CHEMBL2023497)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(NCCO)nc2n(C)c1=O |(10.92,-12.49,;9.59,-11.72,;8.25,-12.5,;6.93,-11.73,;6.15,-10.38,;7.69,-10.38,;5.59,-12.51,;4.27,-11.73,;4.26,-10.18,;2.92,-9.42,;1.59,-10.19,;.26,-9.42,;1.59,-11.73,;2.93,-12.51,;2.93,-14.05,;.25,-12.5,;-1.07,-11.72,;-2.4,-12.49,;-3.73,-11.72,;-5.05,-12.49,;-5.05,-14.03,;-6.39,-14.79,;-7.72,-14.03,;-9.06,-14.79,;-10.39,-14.03,;-3.73,-14.79,;-2.41,-14.03,;-1.07,-14.8,;-1.07,-16.34,;.26,-14.03,;1.59,-14.8,)| Show InChI InChI=1S/C19H21F2N5O4S/c1-3-8-31(29,30)25-14-5-4-13(20)15(16(14)21)12-9-11-10-23-19(22-6-7-27)24-17(11)26(2)18(12)28/h4-5,9-10,25,27H,3,6-8H2,1-2H3,(H,22,23,24) | 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 | 31 | 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 in human MALME-3M cells assessed as reduction in basal ERK1/2 phosphorylation incubated for 1 hr |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485026
(CHEMBL2023498)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(NCCCO)nc2n(C)c1=O |(34.55,-12.88,;33.22,-12.1,;31.89,-12.88,;30.56,-12.11,;29.78,-10.76,;31.32,-10.76,;29.23,-12.89,;27.89,-12.12,;27.89,-10.56,;26.55,-9.8,;25.22,-10.57,;23.88,-9.8,;25.22,-12.12,;26.55,-12.89,;26.55,-14.43,;23.88,-12.88,;22.57,-12.1,;21.23,-12.88,;19.91,-12.1,;18.57,-12.87,;18.57,-14.41,;17.24,-15.18,;15.9,-14.41,;14.57,-15.18,;13.23,-14.41,;11.9,-15.18,;19.9,-15.17,;21.22,-14.41,;22.56,-15.18,;22.56,-16.72,;23.89,-14.42,;25.22,-15.18,)| Show InChI InChI=1S/C20H23F2N5O4S/c1-3-9-32(30,31)26-15-6-5-14(21)16(17(15)22)13-10-12-11-24-20(23-7-4-8-28)25-18(12)27(2)19(13)29/h5-6,10-11,26,28H,3-4,7-9H2,1-2H3,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 41 | 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 in human MALME-3M cells assessed as reduction in basal ERK1/2 phosphorylation incubated for 1 hr |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485030
(CHEMBL2023341)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(NC)nc2n(C)c1=O |(31.39,-.05,;30.06,.72,;28.72,-.05,;27.4,.71,;26.62,2.06,;28.16,2.06,;26.07,-.06,;24.73,.71,;24.73,2.26,;23.39,3.02,;22.06,2.25,;20.73,3.02,;22.06,.71,;23.4,-.07,;23.39,-1.61,;20.72,-.06,;19.4,.72,;18.07,-.05,;16.75,.72,;15.42,-.04,;15.42,-1.58,;14.08,-2.35,;12.75,-1.59,;16.74,-2.34,;18.06,-1.59,;19.4,-2.36,;19.4,-3.9,;20.73,-1.59,;22.06,-2.36,)| Show InChI InChI=1S/C18H19F2N5O3S/c1-4-7-29(27,28)24-13-6-5-12(19)14(15(13)20)11-8-10-9-22-18(21-2)23-16(10)25(3)17(11)26/h5-6,8-9,24H,4,7H2,1-3H3,(H,21,22,23) | 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 | 45 | 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 in human MALME-3M cells assessed as reduction in basal ERK1/2 phosphorylation incubated for 1 hr |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485019
(CHEMBL2023333)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnccc2c(=O)n1C |(47.93,-11.02,;46.6,-10.25,;45.26,-11.02,;43.94,-10.25,;43.15,-8.91,;44.69,-8.91,;42.6,-11.03,;41.27,-10.26,;41.26,-8.71,;39.92,-7.94,;38.59,-8.71,;37.26,-7.94,;38.59,-10.26,;39.93,-11.03,;39.93,-12.57,;37.26,-11.02,;35.93,-10.25,;34.6,-11.02,;33.28,-10.24,;31.94,-11.01,;31.94,-12.55,;33.27,-13.31,;34.59,-12.55,;35.93,-13.32,;35.93,-14.87,;37.26,-12.56,;38.59,-13.33,)| Show InChI InChI=1S/C18H17F2N3O3S/c1-3-8-27(25,26)22-14-5-4-13(19)16(17(14)20)15-9-11-10-21-7-6-12(11)18(24)23(15)2/h4-7,9-10,22H,3,8H2,1-2H3 | 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 | 71 | 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 assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ... |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485018
(CHEMBL2023332)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cncc(Br)c2cn1 Show InChI InChI=1S/C17H14BrF2N3O2S/c1-2-5-26(24,25)23-14-4-3-13(19)16(17(14)20)15-6-10-7-21-9-12(18)11(10)8-22-15/h3-4,6-9,23H,2,5H2,1H3 | 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 | 72 | 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 assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ... |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485027
(CHEMBL2023499)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(NC3CCOCC3)nc2n(C)c1=O |(59.79,-12.06,;58.46,-11.29,;57.12,-12.06,;55.8,-11.3,;55.02,-9.95,;56.56,-9.95,;54.46,-12.07,;53.14,-11.3,;53.13,-9.75,;51.79,-8.99,;50.46,-9.76,;49.13,-8.99,;50.46,-11.3,;51.8,-12.08,;51.8,-13.62,;49.12,-12.07,;47.8,-11.29,;46.47,-12.06,;45.14,-11.29,;43.82,-12.05,;43.82,-13.59,;42.48,-14.36,;41.15,-13.6,;41.15,-12.06,;39.83,-11.29,;38.49,-12.05,;38.48,-13.6,;39.82,-14.37,;45.14,-14.35,;46.46,-13.6,;47.8,-14.37,;47.8,-15.91,;49.13,-13.6,;50.46,-14.37,)| Show InChI InChI=1S/C22H25F2N5O4S/c1-3-10-34(31,32)28-17-5-4-16(23)18(19(17)24)15-11-13-12-25-22(26-14-6-8-33-9-7-14)27-20(13)29(2)21(15)30/h4-5,11-12,14,28H,3,6-10H2,1-2H3,(H,25,26,27) | 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 | 73 | 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 in human MALME-3M cells assessed as reduction in basal ERK1/2 phosphorylation incubated for 1 hr |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485023
(CHEMBL2023340)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(N)nc2n(C)c1=O |(9.34,-.05,;8.01,.72,;6.67,-.05,;5.35,.71,;4.57,2.06,;6.11,2.06,;4.01,-.06,;2.68,.71,;2.67,2.26,;1.34,3.02,;.01,2.25,;-1.32,3.02,;.01,.71,;1.34,-.07,;1.34,-1.61,;-1.32,-.06,;-2.65,.72,;-3.98,-.05,;-5.31,.72,;-6.64,-.04,;-6.64,-1.58,;-7.97,-2.35,;-5.31,-2.34,;-3.99,-1.59,;-2.65,-2.36,;-2.65,-3.9,;-1.32,-1.59,;.02,-2.36,)| Show InChI InChI=1S/C17H17F2N5O3S/c1-3-6-28(26,27)23-12-5-4-11(18)13(14(12)19)10-7-9-8-21-17(20)22-15(9)24(2)16(10)25/h4-5,7-8,23H,3,6H2,1-2H3,(H2,20,21,22) | 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 | 93 | 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 in human MALME-3M cells assessed as reduction in basal ERK1/2 phosphorylation incubated for 1 hr |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485032
(CHEMBL2023339)Show SMILES CCCS(=O)(=O)Nc1ccc(C)c(c1)-c1ccc2nc(N)ncc2c1 Show InChI InChI=1S/C18H20N4O2S/c1-3-8-25(23,24)22-15-6-4-12(2)16(10-15)13-5-7-17-14(9-13)11-20-18(19)21-17/h4-7,9-11,22H,3,8H2,1-2H3,(H2,19,20,21) | 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 | 128 | 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 assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ... |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485020
(CHEMBL2023336)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1ccc2nc(N)ncc2c1 Show InChI InChI=1S/C17H16F2N4O2S/c1-2-7-26(24,25)23-14-6-4-12(18)15(16(14)19)10-3-5-13-11(8-10)9-21-17(20)22-13/h3-6,8-9,23H,2,7H2,1H3,(H2,20,21,22) | 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 | 140 | 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 assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ... |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485031
(CHEMBL2023331)Show InChI InChI=1S/C17H15F2N3O2S/c1-2-7-25(23,24)22-14-4-3-13(18)16(17(14)19)15-8-12-9-20-6-5-11(12)10-21-15/h3-6,8-10,22H,2,7H2,1H3 | 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 | 241 | 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 assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ... |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485016
(CHEMBL2023329)Show InChI InChI=1S/C18H16F2N2O2S/c1-2-9-25(23,24)22-16-6-5-15(19)17(18(16)20)13-4-3-12-7-8-21-11-14(12)10-13/h3-8,10-11,22H,2,9H2,1H3 | 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 | 340 | 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 assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ... |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485019
(CHEMBL2023333)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnccc2c(=O)n1C |(47.93,-11.02,;46.6,-10.25,;45.26,-11.02,;43.94,-10.25,;43.15,-8.91,;44.69,-8.91,;42.6,-11.03,;41.27,-10.26,;41.26,-8.71,;39.92,-7.94,;38.59,-8.71,;37.26,-7.94,;38.59,-10.26,;39.93,-11.03,;39.93,-12.57,;37.26,-11.02,;35.93,-10.25,;34.6,-11.02,;33.28,-10.24,;31.94,-11.01,;31.94,-12.55,;33.27,-13.31,;34.59,-12.55,;35.93,-13.32,;35.93,-14.87,;37.26,-12.56,;38.59,-13.33,)| Show InChI InChI=1S/C18H17F2N3O3S/c1-3-8-27(25,26)22-14-5-4-13(19)16(17(14)20)15-9-11-10-21-7-6-12(11)18(24)23(15)2/h4-7,9-10,22H,3,8H2,1-2H3 | 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 | 445 | 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 in human MALME-3M cells assessed as reduction in basal ERK1/2 phosphorylation incubated for 1 hr |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485018
(CHEMBL2023332)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cncc(Br)c2cn1 Show InChI InChI=1S/C17H14BrF2N3O2S/c1-2-5-26(24,25)23-14-4-3-13(19)16(17(14)20)15-6-10-7-21-9-12(18)11(10)8-22-15/h3-4,6-9,23H,2,5H2,1H3 | 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 | 469 | 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 in human MALME-3M cells assessed as reduction in basal ERK1/2 phosphorylation incubated for 1 hr |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50139054
(CHEMBL2023335)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1ccc2cc(N)ncc2c1 Show InChI InChI=1S/C18H17F2N3O2S/c1-2-7-26(24,25)23-15-6-5-14(19)17(18(15)20)12-4-3-11-9-16(21)22-10-13(11)8-12/h3-6,8-10,23H,2,7H2,1H3,(H2,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 549 | 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 assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ... |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485020
(CHEMBL2023336)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1ccc2nc(N)ncc2c1 Show InChI InChI=1S/C17H16F2N4O2S/c1-2-7-26(24,25)23-14-6-4-12(18)15(16(14)19)10-3-5-13-11(8-10)9-21-17(20)22-13/h3-6,8-9,23H,2,7H2,1H3,(H2,20,21,22) | 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 | 682 | 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 in human MALME-3M cells assessed as reduction in basal ERK1/2 phosphorylation incubated for 1 hr |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485031
(CHEMBL2023331)Show InChI InChI=1S/C17H15F2N3O2S/c1-2-7-25(23,24)22-14-4-3-13(18)16(17(14)19)15-8-12-9-20-6-5-11(12)10-21-15/h3-6,8-10,22H,2,7H2,1H3 | 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 | 703 | 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 in human MALME-3M cells assessed as reduction in basal ERK1/2 phosphorylation incubated for 1 hr |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485029
(CHEMBL2023334)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnccc2n(CCc2ccccc2)c1=O |(8.36,-21.46,;7.02,-20.69,;5.69,-21.46,;4.37,-20.7,;3.58,-19.35,;5.12,-19.35,;3.03,-21.47,;1.7,-20.7,;1.69,-19.15,;.35,-18.39,;-.98,-19.16,;-2.31,-18.39,;-.98,-20.7,;.36,-21.47,;.36,-23.02,;-2.31,-21.47,;-3.64,-20.69,;-4.97,-21.46,;-6.29,-20.69,;-7.62,-21.45,;-7.62,-22.99,;-6.3,-23.76,;-4.98,-22.99,;-3.64,-23.77,;-3.64,-25.31,;-2.3,-26.08,;-2.3,-27.62,;-3.64,-28.39,;-3.64,-29.93,;-2.3,-30.7,;-.97,-29.92,;-.97,-28.38,;-2.31,-23,;-.97,-23.77,)| Show InChI InChI=1S/C25H23F2N3O3S/c1-2-14-34(32,33)29-21-9-8-20(26)23(24(21)27)19-15-18-16-28-12-10-22(18)30(25(19)31)13-11-17-6-4-3-5-7-17/h3-10,12,15-16,29H,2,11,13-14H2,1H3 | 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 | 1.16E+3 | 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 in human MALME-3M cells assessed as reduction in basal ERK1/2 phosphorylation incubated for 1 hr |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485017
(CHEMBL2023330)Show InChI InChI=1S/C17H15F2N3O2S/c1-2-9-25(23,24)22-14-6-4-12(18)16(17(14)19)13-5-3-11-7-8-20-10-15(11)21-13/h3-8,10,22H,2,9H2,1H3 | 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 | 3.61E+3 | 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 assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ... |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485034
(CHEMBL2023328)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(-c2cc3ccncc3[nH]2)c1F Show InChI InChI=1S/C16H15F2N3O2S/c1-2-7-24(22,23)21-12-4-3-11(17)15(16(12)18)13-8-10-5-6-19-9-14(10)20-13/h3-6,8-9,20-21H,2,7H2,1H3 | 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 | >1.00E+4 | 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 assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ... |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485021
(CHEMBL2023337)Show SMILES CCCS(=O)(=O)Nc1cccc(c1)-c1cc2cnc(N)nc2n(C)c1=O Show InChI InChI=1S/C17H19N5O3S/c1-3-7-26(24,25)21-13-6-4-5-11(8-13)14-9-12-10-19-17(18)20-15(12)22(2)16(14)23/h4-6,8-10,21H,3,7H2,1-2H3,(H2,18,19,20) | 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 | >1.00E+4 | 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 assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ... |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485022
(CHEMBL2023338)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1)-c1ccc2nc(N)ncc2c1 Show InChI InChI=1S/C17H17FN4O2S/c1-2-7-25(23,24)22-13-4-5-15(18)14(9-13)11-3-6-16-12(8-11)10-20-17(19)21-16/h3-6,8-10,22H,2,7H2,1H3,(H2,19,20,21) | 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 | >1.00E+4 | 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 assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ... |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485032
(CHEMBL2023339)Show SMILES CCCS(=O)(=O)Nc1ccc(C)c(c1)-c1ccc2nc(N)ncc2c1 Show InChI InChI=1S/C18H20N4O2S/c1-3-8-25(23,24)22-15-6-4-12(2)16(10-15)13-5-7-17-14(9-13)11-20-18(19)21-17/h4-7,9-11,22H,3,8H2,1-2H3,(H2,19,20,21) | 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 | >1.00E+4 | 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 in human MALME-3M cells assessed as reduction in basal ERK1/2 phosphorylation incubated for 1 hr |
Bioorg Med Chem Lett 22: 3387-91 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4 |
More data for this
Ligand-Target Pair | |
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