Found 45 hits of Enzyme Inhibition Constant Data 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)) | BDBM50312070
(CHEMBL1080438 | N-(3-(3-(1H-pyrazol-4-yl)pyrazolo[...)Show SMILES Fc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccnc2c(cnn12)-c1cn[nH]c1 Show InChI InChI=1S/C23H14F4N6O/c24-19-5-4-16(32-22(34)13-2-1-3-15(8-13)23(25,26)27)9-17(19)20-6-7-28-21-18(12-31-33(20)21)14-10-29-30-11-14/h1-12H,(H,29,30)(H,32,34) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312058
(CHEMBL1087522 | N-(3-(3-(4-(pyrrolidin-1-ylmethyl)...)Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2c(cnn12)-c1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C31H26F3N5O/c32-31(33,34)25-7-3-6-24(17-25)30(40)37-26-8-4-5-23(18-26)28-13-14-35-29-27(19-36-39(28)29)22-11-9-21(10-12-22)20-38-15-1-2-16-38/h3-14,17-19H,1-2,15-16,20H2,(H,37,40) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312057
(CHEMBL1087397 | N-(3-(3-(4-((dimethylamino)methyl)...)Show SMILES CN(C)Cc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C29H24F3N5O/c1-36(2)18-19-9-11-20(12-10-19)25-17-34-37-26(13-14-33-27(25)37)21-5-4-8-24(16-21)35-28(38)22-6-3-7-23(15-22)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50312057
(CHEMBL1087397 | N-(3-(3-(4-((dimethylamino)methyl)...)Show SMILES CN(C)Cc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C29H24F3N5O/c1-36(2)18-19-9-11-20(12-10-19)25-17-34-37-26(13-14-33-27(25)37)21-5-4-8-24(16-21)35-28(38)22-6-3-7-23(15-22)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of cRAF |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312054
(CHEMBL1087892 | N-(3-(3-(4-(2-(dimethylamino)ethyl...)Show SMILES CN(C)CCc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C30H26F3N5O/c1-37(2)16-14-20-9-11-21(12-10-20)26-19-35-38-27(13-15-34-28(26)38)22-5-4-8-25(18-22)36-29(39)23-6-3-7-24(17-23)30(31,32)33/h3-13,15,17-19H,14,16H2,1-2H3,(H,36,39) | 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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312062
(CHEMBL1087781 | N-(3-(3-(6-(2-(dimethylamino)ethyl...)Show SMILES CN(C)CCNc1ccc(cn1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C29H26F3N7O/c1-38(2)14-13-33-26-10-9-21(17-35-26)24-18-36-39-25(11-12-34-27(24)39)19-5-4-8-23(16-19)37-28(40)20-6-3-7-22(15-20)29(30,31)32/h3-12,15-18H,13-14H2,1-2H3,(H,33,35)(H,37,40) | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312073
(CHEMBL1076204 | N-(4-fluoro-3-(3-(6-(4-methylpiper...)Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cnn2c(ccnc12)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1F Show InChI InChI=1S/C30H25F4N7O/c1-39-11-13-40(14-12-39)27-8-5-20(17-36-27)24-18-37-41-26(9-10-35-28(24)41)23-16-22(6-7-25(23)31)38-29(42)19-3-2-4-21(15-19)30(32,33)34/h2-10,15-18H,11-14H2,1H3,(H,38,42) | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312050
(CHEMBL1076440 | N-(3-(3-(4-(2-(dimethylamino)aceta...)Show SMILES CN(C)CC(=O)Nc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C30H25F3N6O2/c1-38(2)18-27(40)36-23-11-9-19(10-12-23)25-17-35-39-26(13-14-34-28(25)39)20-5-4-8-24(16-20)37-29(41)21-6-3-7-22(15-21)30(31,32)33/h3-17H,18H2,1-2H3,(H,36,40)(H,37,41) | 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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312059
(CHEMBL1076482 | N-(3-(3-(4-((4-methylpiperazin-1-y...)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnn3c(ccnc23)-c2cccc(NC(=O)c3cccc(c3)C(F)(F)F)c2)CC1 Show InChI InChI=1S/C32H29F3N6O/c1-39-14-16-40(17-15-39)21-22-8-10-23(11-9-22)28-20-37-41-29(12-13-36-30(28)41)24-4-3-7-27(19-24)38-31(42)25-5-2-6-26(18-25)32(33,34)35/h2-13,18-20H,14-17,21H2,1H3,(H,38,42) | 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 | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312051
(CHEMBL1076441 | N-(3-(3-(3-(2-(dimethylamino)aceta...)Show SMILES CN(C)CC(=O)Nc1cccc(c1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C30H25F3N6O2/c1-38(2)18-27(40)36-23-10-4-6-19(15-23)25-17-35-39-26(12-13-34-28(25)39)20-7-5-11-24(16-20)37-29(41)21-8-3-9-22(14-21)30(31,32)33/h3-17H,18H2,1-2H3,(H,36,40)(H,37,41) | 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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312053
(CHEMBL1088295 | N-(3-(3-(3-(2-(dimethylamino)ethyl...)Show SMILES CN(C)CCc1cccc(c1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C30H26F3N5O/c1-37(2)15-13-20-6-3-7-21(16-20)26-19-35-38-27(12-14-34-28(26)38)22-8-5-11-25(18-22)36-29(39)23-9-4-10-24(17-23)30(31,32)33/h3-12,14,16-19H,13,15H2,1-2H3,(H,36,39) | 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 | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312071
(CHEMBL1080439 | N-(3-(3-(1H-pyrazol-4-yl)pyrazolo[...)Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1ccc(Cl)c(c1)-c1ccnc2c(cnn12)-c1cn[nH]c1 Show InChI InChI=1S/C23H14ClF3N6O/c24-19-5-4-16(32-22(34)13-2-1-3-15(8-13)23(25,26)27)9-17(19)20-6-7-28-21-18(12-31-33(20)21)14-10-29-30-11-14/h1-12H,(H,29,30)(H,32,34) | 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 | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312056
(CHEMBL1087894 | N-(3-(3-(3-((dimethylamino)methyl)...)Show SMILES CN(C)Cc1cccc(c1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C29H24F3N5O/c1-36(2)18-19-6-3-7-20(14-19)25-17-34-37-26(12-13-33-27(25)37)21-8-5-11-24(16-21)35-28(38)22-9-4-10-23(15-22)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38) | 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 | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312063
(CHEMBL1076497 | N-(3-(3-(6-(4-methylpiperazin-1-yl...)Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C30H26F3N7O/c1-38-12-14-39(15-13-38)27-9-8-22(18-35-27)25-19-36-40-26(10-11-34-28(25)40)20-4-3-7-24(17-20)37-29(41)21-5-2-6-23(16-21)30(31,32)33/h2-11,16-19H,12-15H2,1H3,(H,37,41) | 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 | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312048
(CHEMBL1086870 | N-(3-(3-(3-carbamoylphenyl)pyrazol...)Show SMILES NC(=O)c1cccc(c1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C27H18F3N5O2/c28-27(29,30)20-8-2-7-19(13-20)26(37)34-21-9-3-5-17(14-21)23-10-11-32-25-22(15-33-35(23)25)16-4-1-6-18(12-16)24(31)36/h1-15H,(H2,31,36)(H,34,37) | 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 | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312065
(CHEMBL1081470 | N-(3-(3-(1H-pyrazol-4-yl)pyrazolo[...)Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2c(cnn12)-c1cn[nH]c1 Show InChI InChI=1S/C23H15F3N6O/c24-23(25,26)17-5-1-4-15(9-17)22(33)31-18-6-2-3-14(10-18)20-7-8-27-21-19(13-30-32(20)21)16-11-28-29-12-16/h1-13H,(H,28,29)(H,31,33) | 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 | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312072
(CHEMBL1080437 | N-(3-(3-(1H-pyrazol-4-yl)pyrazolo[...)Show SMILES COc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccnc2c(cnn12)-c1cn[nH]c1 Show InChI InChI=1S/C24H17F3N6O2/c1-35-21-6-5-17(32-23(34)14-3-2-4-16(9-14)24(25,26)27)10-18(21)20-7-8-28-22-19(13-31-33(20)22)15-11-29-30-12-15/h2-13H,1H3,(H,29,30)(H,32,34) | 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 | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312061
(CHEMBL1087780 | N-(3-(3-(6-aminopyridin-3-yl)pyraz...)Show SMILES Nc1ccc(cn1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C25H17F3N6O/c26-25(27,28)18-5-1-4-16(11-18)24(35)33-19-6-2-3-15(12-19)21-9-10-30-23-20(14-32-34(21)23)17-7-8-22(29)31-13-17/h1-14H,(H2,29,31)(H,33,35) | 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 | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312060
(CHEMBL1087523 | N-(3-(3-(pyridin-3-yl)pyrazolo[1,5...)Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2c(cnn12)-c1cccnc1 Show InChI InChI=1S/C25H16F3N5O/c26-25(27,28)19-7-1-5-17(12-19)24(34)32-20-8-2-4-16(13-20)22-9-11-30-23-21(15-31-33(22)23)18-6-3-10-29-14-18/h1-15H,(H,32,34) | 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 | 113 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312055
(CHEMBL1087893 | N-(3-(3-(2-((dimethylamino)methyl)...)Show SMILES CN(C)Cc1ccccc1-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C29H24F3N5O/c1-36(2)18-21-7-3-4-12-24(21)25-17-34-37-26(13-14-33-27(25)37)19-8-6-11-23(16-19)35-28(38)20-9-5-10-22(15-20)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38) | 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 | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312049
(CHEMBL1076439 | N-(3-(3-(4-(2-(2-methoxyethoxy)ace...)Show SMILES COCCOCC(=O)Nc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C31H26F3N5O4/c1-42-14-15-43-19-28(40)37-24-10-8-20(9-11-24)26-18-36-39-27(12-13-35-29(26)39)21-4-3-7-25(17-21)38-30(41)22-5-2-6-23(16-22)31(32,33)34/h2-13,16-18H,14-15,19H2,1H3,(H,37,40)(H,38,41) | 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 | 139 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50312057
(CHEMBL1087397 | N-(3-(3-(4-((dimethylamino)methyl)...)Show SMILES CN(C)Cc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C29H24F3N5O/c1-36(2)18-19-9-11-20(12-10-19)25-17-34-37-26(13-14-33-27(25)37)21-5-4-8-24(16-21)35-28(38)22-6-3-7-23(15-22)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 216 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312069
(CHEMBL1076541 | N-(3-(3-(5-((4-ethylpiperazin-1-yl...)Show SMILES CCN1CCN(Cc2cc(co2)-c2cnn3c(ccnc23)-c2cccc(NC(=O)c3cccc(c3)C(F)(F)F)c2)CC1 Show InChI InChI=1S/C31H29F3N6O2/c1-2-38-11-13-39(14-12-38)19-26-17-23(20-42-26)27-18-36-40-28(9-10-35-29(27)40)21-5-4-8-25(16-21)37-30(41)22-6-3-7-24(15-22)31(32,33)34/h3-10,15-18,20H,2,11-14,19H2,1H3,(H,37,41) | 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 | 219 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312046
(CHEMBL1080269 | N-(3-(3-(4-(dimethylamino)phenyl)p...)Show SMILES CN(C)c1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C28H22F3N5O/c1-35(2)23-11-9-18(10-12-23)24-17-33-36-25(13-14-32-26(24)36)19-5-4-8-22(16-19)34-27(37)20-6-3-7-21(15-20)28(29,30)31/h3-17H,1-2H3,(H,34,37) | 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 | 308 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312052
(CHEMBL1088162 | N-(3-(3-(2-(2-(dimethylamino)ethyl...)Show SMILES CN(C)CCc1ccccc1-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C30H26F3N5O/c1-37(2)16-14-20-7-3-4-12-25(20)26-19-35-38-27(13-15-34-28(26)38)21-8-6-11-24(18-21)36-29(39)22-9-5-10-23(17-22)30(31,32)33/h3-13,15,17-19H,14,16H2,1-2H3,(H,36,39) | 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 | 318 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312067
(CHEMBL1081817 | N-(3-(3-(furan-3-yl)pyrazolo[1,5-a...)Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2c(cnn12)-c1ccoc1 Show InChI InChI=1S/C24H15F3N4O2/c25-24(26,27)18-5-1-4-16(11-18)23(32)30-19-6-2-3-15(12-19)21-7-9-28-22-20(13-29-31(21)22)17-8-10-33-14-17/h1-14H,(H,30,32) | 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 | 326 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312068
(CHEMBL1081818 | N-(3-(3-(5-(pyrrolidin-1-ylmethyl)...)Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2c(cnn12)-c1coc(CN2CCCC2)c1 Show InChI InChI=1S/C29H24F3N5O2/c30-29(31,32)22-7-3-6-20(13-22)28(38)35-23-8-4-5-19(14-23)26-9-10-33-27-25(16-34-37(26)27)21-15-24(39-18-21)17-36-11-1-2-12-36/h3-10,13-16,18H,1-2,11-12,17H2,(H,35,38) | 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 | 362 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312066
(CHEMBL1081647 | N-(3-(3-(1-(2-(pyrrolidin-1-yl)eth...)Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2c(cnn12)-c1cnn(CCN2CCCC2)c1 Show InChI InChI=1S/C29H26F3N7O/c30-29(31,32)23-7-3-6-21(15-23)28(40)36-24-8-4-5-20(16-24)26-9-10-33-27-25(18-35-39(26)27)22-17-34-38(19-22)14-13-37-11-1-2-12-37/h3-10,15-19H,1-2,11-14H2,(H,36,40) | 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 | 393 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312044
(CHEMBL1080656 | N-(3-(3-(5-morpholinopent-1-ynyl)p...)Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2c(cnn12)C#CCCCN1CCOCC1 Show InChI InChI=1S/C29H26F3N5O2/c30-29(31,32)24-9-4-8-22(18-24)28(38)35-25-10-5-7-21(19-25)26-11-12-33-27-23(20-34-37(26)27)6-2-1-3-13-36-14-16-39-17-15-36/h4-5,7-12,18-20H,1,3,13-17H2,(H,35,38) | 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 | 552 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312045
(CHEMBL1080268 | N-(3-(3-(5-(4-methylpiperazin-1-yl...)Show SMILES CN1CCN(CCCC#Cc2cnn3c(ccnc23)-c2cccc(NC(=O)c3cccc(c3)C(F)(F)F)c2)CC1 Show InChI InChI=1S/C30H29F3N6O/c1-37-15-17-38(18-16-37)14-4-2-3-7-24-21-35-39-27(12-13-34-28(24)39)22-8-6-11-26(20-22)36-29(40)23-9-5-10-25(19-23)30(31,32)33/h5-6,8-13,19-21H,2,4,14-18H2,1H3,(H,36,40) | 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 | 842 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312064
(CHEMBL1087906 | N-(3-(3-(2-morpholinopyrimidin-5-y...)Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2c(cnn12)-c1cnc(nc1)N1CCOCC1 Show InChI InChI=1S/C28H22F3N7O2/c29-28(30,31)21-5-1-4-19(13-21)26(39)36-22-6-2-3-18(14-22)24-7-8-32-25-23(17-35-38(24)25)20-15-33-27(34-16-20)37-9-11-40-12-10-37/h1-8,13-17H,9-12H2,(H,36,39) | 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 | 941 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50294451
(CHEMBL565061 | ethyl 7-(3-(3-(trifluoromethyl)benz...)Show SMILES CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C23H17F3N4O3/c1-2-33-22(32)18-13-28-30-19(9-10-27-20(18)30)14-5-4-8-17(12-14)29-21(31)15-6-3-7-16(11-15)23(24,25)26/h3-13H,2H2,1H3,(H,29,31) | 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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50312057
(CHEMBL1087397 | N-(3-(3-(4-((dimethylamino)methyl)...)Show SMILES CN(C)Cc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C29H24F3N5O/c1-36(2)18-19-9-11-20(12-10-19)25-17-34-37-26(13-14-33-27(25)37)21-5-4-8-24(16-21)35-28(38)22-6-3-7-23(15-22)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50312057
(CHEMBL1087397 | N-(3-(3-(4-((dimethylamino)methyl)...)Show SMILES CN(C)Cc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C29H24F3N5O/c1-36(2)18-19-9-11-20(12-10-19)25-17-34-37-26(13-14-33-27(25)37)21-5-4-8-24(16-21)35-28(38)22-6-3-7-23(15-22)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50312057
(CHEMBL1087397 | N-(3-(3-(4-((dimethylamino)methyl)...)Show SMILES CN(C)Cc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C29H24F3N5O/c1-36(2)18-19-9-11-20(12-10-19)25-17-34-37-26(13-14-33-27(25)37)21-5-4-8-24(16-21)35-28(38)22-6-3-7-23(15-22)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCalpha |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50312057
(CHEMBL1087397 | N-(3-(3-(4-((dimethylamino)methyl)...)Show SMILES CN(C)Cc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C29H24F3N5O/c1-36(2)18-19-9-11-20(12-10-19)25-17-34-37-26(13-14-33-27(25)37)21-5-4-8-24(16-21)35-28(38)22-6-3-7-23(15-22)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38) | PDB
MMDB
NCI pathway
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| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50312057
(CHEMBL1087397 | N-(3-(3-(4-((dimethylamino)methyl)...)Show SMILES CN(C)Cc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C29H24F3N5O/c1-36(2)18-19-9-11-20(12-10-19)25-17-34-37-26(13-14-33-27(25)37)21-5-4-8-24(16-21)35-28(38)22-6-3-7-23(15-22)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38) | PDB
MMDB
NCI pathway
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KEGG
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| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50312057
(CHEMBL1087397 | N-(3-(3-(4-((dimethylamino)methyl)...)Show SMILES CN(C)Cc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C29H24F3N5O/c1-36(2)18-19-9-11-20(12-10-19)25-17-34-37-26(13-14-33-27(25)37)21-5-4-8-24(16-21)35-28(38)22-6-3-7-23(15-22)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38) | PDB
MMDB
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| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of SRC |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50312057
(CHEMBL1087397 | N-(3-(3-(4-((dimethylamino)methyl)...)Show SMILES CN(C)Cc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C29H24F3N5O/c1-36(2)18-19-9-11-20(12-10-19)25-17-34-37-26(13-14-33-27(25)37)21-5-4-8-24(16-21)35-28(38)22-6-3-7-23(15-22)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38) | PDB
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| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase beta-1
(Homo sapiens (Human)) | BDBM50312057
(CHEMBL1087397 | N-(3-(3-(4-((dimethylamino)methyl)...)Show SMILES CN(C)Cc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C29H24F3N5O/c1-36(2)18-19-9-11-20(12-10-19)25-17-34-37-26(13-14-33-27(25)37)21-5-4-8-24(16-21)35-28(38)22-6-3-7-23(15-22)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38) | PDB
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| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of p70S6K |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50312057
(CHEMBL1087397 | N-(3-(3-(4-((dimethylamino)methyl)...)Show SMILES CN(C)Cc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C29H24F3N5O/c1-36(2)18-19-9-11-20(12-10-19)25-17-34-37-26(13-14-33-27(25)37)21-5-4-8-24(16-21)35-28(38)22-6-3-7-23(15-22)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38) | PDB
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| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 6
(Homo sapiens (Human)) | BDBM50312057
(CHEMBL1087397 | N-(3-(3-(4-((dimethylamino)methyl)...)Show SMILES CN(C)Cc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C29H24F3N5O/c1-36(2)18-19-9-11-20(12-10-19)25-17-34-37-26(13-14-33-27(25)37)21-5-4-8-24(16-21)35-28(38)22-6-3-7-23(15-22)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38) | PDB
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| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MKK6 |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50312057
(CHEMBL1087397 | N-(3-(3-(4-((dimethylamino)methyl)...)Show SMILES CN(C)Cc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C29H24F3N5O/c1-36(2)18-19-9-11-20(12-10-19)25-17-34-37-26(13-14-33-27(25)37)21-5-4-8-24(16-21)35-28(38)22-6-3-7-23(15-22)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38) | PDB
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| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of CDK4 |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50312057
(CHEMBL1087397 | N-(3-(3-(4-((dimethylamino)methyl)...)Show SMILES CN(C)Cc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C29H24F3N5O/c1-36(2)18-19-9-11-20(12-10-19)25-17-34-37-26(13-14-33-27(25)37)21-5-4-8-24(16-21)35-28(38)22-6-3-7-23(15-22)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38) | PDB
MMDB
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| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MK2 |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312047
(CHEMBL1080445 | N-(3-(3-(4-(N,N-dimethylsulfamoyl)...)Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C28H22F3N5O3S/c1-35(2)40(38,39)23-11-9-18(10-12-23)24-17-33-36-25(13-14-32-26(24)36)19-5-4-8-22(16-19)34-27(37)20-6-3-7-21(15-20)28(29,30)31/h3-17H,1-2H3,(H,34,37) | PDB
MMDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 6519-23 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7 |
More data for this
Ligand-Target Pair | |
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