Found 73 hits with Last Name = 'sibley' and Initial = 'rn' 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 |
|---|
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50114250
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-pyr...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Cc2ccncc2)cc1)C(C)(C)C Show InChI InChI=1S/C21H25N5O/c1-21(2,3)18-14-19(26(4)25-18)24-20(27)23-17-7-5-15(6-8-17)13-16-9-11-22-12-10-16/h5-12,14H,13H2,1-4H3,(H2,23,24,27) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human epidermal growth factor receptor-2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139601
(1-(4-bromo-3-(trifluoromethyl)phenyl)-3-(4-(2-(met...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Br)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16BrF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114245
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(py...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Sc2ccncc2)cc1)C(C)(C)C Show InChI InChI=1S/C20H23N5OS/c1-20(2,3)17-13-18(25(4)24-17)23-19(26)22-14-5-7-15(8-6-14)27-16-9-11-21-12-10-16/h5-13H,1-4H3,(H2,22,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM13336
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139614
(4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido...)Show SMILES CCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C22H18ClF3N4O3/c1-2-27-20(31)19-12-16(9-10-28-19)33-15-6-3-13(4-7-15)29-21(32)30-14-5-8-18(23)17(11-14)22(24,25)26/h3-12H,2H2,1H3,(H,27,31)(H2,29,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139618
(4-{4-[3-(4-Bromo-3-trifluoromethyl-phenyl)-ureido]...)Show SMILES CCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Br)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C22H18BrF3N4O3/c1-2-27-20(31)19-12-16(9-10-28-19)33-15-6-3-13(4-7-15)29-21(32)30-14-5-8-18(23)17(11-14)22(24,25)26/h3-12H,2H2,1H3,(H,27,31)(H2,29,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114231
((4-{4-[3-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-u...)Show SMILES CCOC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C24H29N5O4/c1-6-32-23(31)26-17-9-13-19(14-10-17)33-18-11-7-16(8-12-18)25-22(30)27-21-15-20(24(2,3)4)28-29(21)5/h7-15H,6H2,1-5H3,(H,26,31)(H2,25,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114235
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(4-...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Sc2ccc(O)cc2)cc1)C(C)(C)C Show InChI InChI=1S/C21H24N4O2S/c1-21(2,3)18-13-19(25(4)24-18)23-20(27)22-14-5-9-16(10-6-14)28-17-11-7-15(26)8-12-17/h5-13,26H,1-4H3,(H2,22,23,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114247
(CHEMBL415679 | N-(4-{4-[3-(5-tert-Butyl-2-methyl-2...)Show SMILES CC(C)CC(=O)Nc1ccc(Cc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C27H35N5O2/c1-18(2)15-25(33)28-21-11-7-19(8-12-21)16-20-9-13-22(14-10-20)29-26(34)30-24-17-23(27(3,4)5)31-32(24)6/h7-14,17-18H,15-16H2,1-6H3,(H,28,33)(H2,29,30,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139621
(4-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-pheno...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2)ccn1 Show InChI InChI=1S/C21H23N5O4/c1-21(2,3)17-12-18(26-30-17)25-20(28)24-13-5-7-14(8-6-13)29-15-9-10-23-16(11-15)19(27)22-4/h5-12H,1-4H3,(H,22,27)(H2,24,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114240
(CHEMBL290982 | N-(4-{4-[3-(5-tert-Butyl-2-methyl-2...)Show SMILES CCC(=O)Nc1ccc(Cc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C25H31N5O2/c1-6-23(31)26-19-11-7-17(8-12-19)15-18-9-13-20(14-10-18)27-24(32)28-22-16-21(25(2,3)4)29-30(22)5/h7-14,16H,6,15H2,1-5H3,(H,26,31)(H2,27,28,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114250
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-pyr...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Cc2ccncc2)cc1)C(C)(C)C Show InChI InChI=1S/C21H25N5O/c1-21(2,3)18-14-19(26(4)25-18)24-20(27)23-17-7-5-15(6-8-17)13-16-9-11-22-12-10-16/h5-12,14H,13H2,1-4H3,(H2,23,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114244
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(py...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(CSc2ccncc2)cc1)C(C)(C)C Show InChI InChI=1S/C21H25N5OS/c1-21(2,3)18-13-19(26(4)25-18)24-20(27)23-16-7-5-15(6-8-16)14-28-17-9-11-22-12-10-17/h5-13H,14H2,1-4H3,(H2,23,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139626
(3-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido...)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3cccc(c3)C(=O)Nc3cccnc3)cc2)ccc1Cl Show InChI InChI=1S/C26H18ClF3N4O3/c27-23-11-8-18(14-22(23)26(28,29)30)34-25(36)33-17-6-9-20(10-7-17)37-21-5-1-3-16(13-21)24(35)32-19-4-2-12-31-15-19/h1-15H,(H,32,35)(H2,33,34,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114239
(CHEMBL40166 | N-(4-{4-[3-(5-tert-Butyl-2-methyl-2H...)Show SMILES CC(C)CC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C26H33N5O3/c1-17(2)15-24(32)27-18-7-11-20(12-8-18)34-21-13-9-19(10-14-21)28-25(33)29-23-16-22(26(3,4)5)30-31(23)6/h7-14,16-17H,15H2,1-6H3,(H,27,32)(H2,28,29,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139620
(5-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido...)Show SMILES CNC(=O)c1cncc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)c1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)12-8-16(11-27-10-12)32-15-5-2-13(3-6-15)28-20(31)29-14-4-7-18(22)17(9-14)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50091923
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(2,3-d...)Show InChI InChI=1S/C15H18Cl2N4O/c1-15(2,3)11-8-12(21(4)20-11)19-14(22)18-10-7-5-6-9(16)13(10)17/h5-8H,1-4H3,(H2,18,19,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139597
(4-(4-(3-(2-methoxy-5-(trifluoromethyl)phenyl)ureid...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(ccc3OC)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C22H19F3N4O4/c1-26-20(30)18-12-16(9-10-27-18)33-15-6-4-14(5-7-15)28-21(31)29-17-11-13(22(23,24)25)3-8-19(17)32-2/h3-12H,1-2H3,(H,26,30)(H2,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114242
((4-{4-[3-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-u...)Show SMILES CC(C)OC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C25H31N5O4/c1-16(2)33-24(32)27-18-9-13-20(14-10-18)34-19-11-7-17(8-12-19)26-23(31)28-22-15-21(25(3,4)5)29-30(22)6/h7-16H,1-6H3,(H,27,32)(H2,26,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114238
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(4-...)Show SMILES CCCOc1ccc(Sc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C24H30N4O2S/c1-6-15-30-18-9-13-20(14-10-18)31-19-11-7-17(8-12-19)25-23(29)26-22-16-21(24(2,3)4)27-28(22)5/h7-14,16H,6,15H2,1-5H3,(H2,25,26,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139623
(4-{4-[3-(4-Bromo-3-trifluoromethyl-phenyl)-ureido]...)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ccnc(c3)C(=O)NCCN3CCOCC3)cc2)ccc1Br Show InChI InChI=1S/C26H25BrF3N5O4/c27-22-6-3-18(15-21(22)26(28,29)30)34-25(37)33-17-1-4-19(5-2-17)39-20-7-8-31-23(16-20)24(36)32-9-10-35-11-13-38-14-12-35/h1-8,15-16H,9-14H2,(H,32,36)(H2,33,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139627
(1-(2-methoxy-5-(trifluoromethyl)phenyl)-3-(4-(5-(m...)Show SMILES CNC(=O)c1cncc(Oc2ccc(NC(=O)Nc3cc(ccc3OC)C(F)(F)F)cc2)c1 Show InChI InChI=1S/C22H19F3N4O4/c1-26-20(30)13-9-17(12-27-11-13)33-16-6-4-15(5-7-16)28-21(31)29-18-10-14(22(23,24)25)3-8-19(18)32-2/h3-12H,1-2H3,(H,26,30)(H2,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139602
(5-{4-[3-(2-Methoxy-5-trifluoromethyl-phenyl)-ureid...)Show SMILES COc1ccc(cc1NC(=O)Nc1ccc(Oc2cncc(c2)C(=O)NCCN2CCOCC2)cc1)C(F)(F)F Show InChI InChI=1S/C27H28F3N5O5/c1-38-24-7-2-19(27(28,29)30)15-23(24)34-26(37)33-20-3-5-21(6-4-20)40-22-14-18(16-31-17-22)25(36)32-8-9-35-10-12-39-13-11-35/h2-7,14-17H,8-13H2,1H3,(H,32,36)(H2,33,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139598
(3-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-pheno...)Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3cccc(c3)C(=O)Nc3cccnc3)cc2)no1 Show InChI InChI=1S/C26H25N5O4/c1-26(2,3)22-15-23(31-35-22)30-25(33)29-18-9-11-20(12-10-18)34-21-8-4-6-17(14-21)24(32)28-19-7-5-13-27-16-19/h4-16H,1-3H3,(H,28,32)(H2,29,30,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114251
(CHEMBL288889 | N-(4-{4-[3-(5-tert-Butyl-2-methyl-2...)Show SMILES CCC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C24H29N5O3/c1-6-22(30)25-16-7-11-18(12-8-16)32-19-13-9-17(10-14-19)26-23(31)27-21-15-20(24(2,3)4)28-29(21)5/h7-15H,6H2,1-5H3,(H,25,30)(H2,26,27,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114233
(1-[4-(4-Butoxy-phenylsulfanyl)-phenyl]-3-(5-tert-b...)Show SMILES CCCCOc1ccc(Sc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C25H32N4O2S/c1-6-7-16-31-19-10-14-21(15-11-19)32-20-12-8-18(9-13-20)26-24(30)27-23-17-22(25(2,3)4)28-29(23)5/h8-15,17H,6-7,16H2,1-5H3,(H2,26,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139635
(3-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido...)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3cccc(c3)C(=O)NCCN3CCOCC3)cc2)ccc1Cl Show InChI InChI=1S/C27H26ClF3N4O4/c28-24-9-6-20(17-23(24)27(29,30)31)34-26(37)33-19-4-7-21(8-5-19)39-22-3-1-2-18(16-22)25(36)32-10-11-35-12-14-38-15-13-35/h1-9,16-17H,10-15H2,(H,32,36)(H2,33,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114253
(CHEMBL416425 | N-(4-{4-[3-(5-tert-Butyl-2-methyl-2...)Show SMILES CC(=O)Nc1ccc(Cc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C24H29N5O2/c1-16(30)25-19-10-6-17(7-11-19)14-18-8-12-20(13-9-18)26-23(31)27-22-15-21(24(2,3)4)28-29(22)5/h6-13,15H,14H2,1-5H3,(H,25,30)(H2,26,27,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139596
(4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido...)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ccnc(c3)C(=O)NCCN3CCOCC3)cc2)ccc1Cl Show InChI InChI=1S/C26H25ClF3N5O4/c27-22-6-3-18(15-21(22)26(28,29)30)34-25(37)33-17-1-4-19(5-2-17)39-20-7-8-31-23(16-20)24(36)32-9-10-35-11-13-38-14-12-35/h1-8,15-16H,9-14H2,(H,32,36)(H2,33,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139628
(3-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido...)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3cccc(c3)C(=O)NCCN3CCCCC3)cc2)ccc1Cl Show InChI InChI=1S/C28H28ClF3N4O3/c29-25-12-9-21(18-24(25)28(30,31)32)35-27(38)34-20-7-10-22(11-8-20)39-23-6-4-5-19(17-23)26(37)33-13-16-36-14-2-1-3-15-36/h4-12,17-18H,1-3,13-16H2,(H,33,37)(H2,34,35,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114248
((4-{4-[3-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-u...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc1)C(C)(C)C Show InChI InChI=1S/C27H35N5O3/c1-26(2,3)22-17-23(32(7)31-22)30-24(33)28-20-12-8-18(9-13-20)16-19-10-14-21(15-11-19)29-25(34)35-27(4,5)6/h8-15,17H,16H2,1-7H3,(H,29,34)(H2,28,30,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139606
(CHEMBL168049 | N-(2-Dimethylamino-ethyl)-5-{4-[3-(...)Show SMILES COc1ccc(cc1NC(=O)Nc1ccc(Oc2cncc(c2)C(=O)NCCN(C)C)cc1)C(F)(F)F Show InChI InChI=1S/C25H26F3N5O4/c1-33(2)11-10-30-23(34)16-12-20(15-29-14-16)37-19-7-5-18(6-8-19)31-24(35)32-21-13-17(25(26,27)28)4-9-22(21)36-3/h4-9,12-15H,10-11H2,1-3H3,(H,30,34)(H2,31,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139611
(3-{4-[3-(2-Methoxy-5-trifluoromethyl-phenyl)-ureid...)Show SMILES COc1ccc(cc1NC(=O)Nc1ccc(Oc2cccc(c2)C(=O)Nc2cccnc2)cc1)C(F)(F)F Show InChI InChI=1S/C27H21F3N4O4/c1-37-24-12-7-18(27(28,29)30)15-23(24)34-26(36)33-19-8-10-21(11-9-19)38-22-6-2-4-17(14-22)25(35)32-20-5-3-13-31-16-20/h2-16H,1H3,(H,32,35)(H2,33,34,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114232
(1-[4-(4-Benzyloxy-phenoxy)-phenyl]-3-(5-tert-butyl...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1)C(C)(C)C Show InChI InChI=1S/C28H30N4O3/c1-28(2,3)25-18-26(32(4)31-25)30-27(33)29-21-10-12-23(13-11-21)35-24-16-14-22(15-17-24)34-19-20-8-6-5-7-9-20/h5-18H,19H2,1-4H3,(H2,29,30,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11
(Homo sapiens (Human)) | BDBM50114250
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-pyr...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Cc2ccncc2)cc1)C(C)(C)C Show InChI InChI=1S/C21H25N5O/c1-21(2,3)18-14-19(26(4)25-18)24-20(27)23-17-7-5-15(6-8-17)13-16-9-11-22-12-10-16/h5-12,14H,13H2,1-4H3,(H2,23,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 beta |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139629
(3-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido...)Show SMILES COCCNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)c1 Show InChI InChI=1S/C24H21ClF3N3O4/c1-34-12-11-29-22(32)15-3-2-4-19(13-15)35-18-8-5-16(6-9-18)30-23(33)31-17-7-10-21(25)20(14-17)24(26,27)28/h2-10,13-14H,11-12H2,1H3,(H,29,32)(H2,30,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139609
(3-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenoxy)...)Show SMILES CNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2)c1 Show InChI InChI=1S/C22H24N4O4/c1-22(2,3)18-13-19(26-30-18)25-21(28)24-15-8-10-16(11-9-15)29-17-7-5-6-14(12-17)20(27)23-4/h5-13H,1-4H3,(H,23,27)(H2,24,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139617
(3-{4-[3-(2-Methoxy-5-trifluoromethyl-phenyl)-ureid...)Show SMILES CNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3cc(ccc3OC)C(F)(F)F)cc2)c1 Show InChI InChI=1S/C23H20F3N3O4/c1-27-21(30)14-4-3-5-18(12-14)33-17-9-7-16(8-10-17)28-22(31)29-19-13-15(23(24,25)26)6-11-20(19)32-2/h3-13H,1-2H3,(H,27,30)(H2,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139612
(3-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-pheno...)Show SMILES CCNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2)c1 Show InChI InChI=1S/C23H26N4O4/c1-5-24-21(28)15-7-6-8-18(13-15)30-17-11-9-16(10-12-17)25-22(29)26-20-14-19(31-27-20)23(2,3)4/h6-14H,5H2,1-4H3,(H,24,28)(H2,25,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139605
(3-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido...)Show SMILES COc1ccncc1NC(=O)c1cccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)c1 Show InChI InChI=1S/C27H20ClF3N4O4/c1-38-24-11-12-32-15-23(24)35-25(36)16-3-2-4-20(13-16)39-19-8-5-17(6-9-19)33-26(37)34-18-7-10-22(28)21(14-18)27(29,30)31/h2-15H,1H3,(H,35,36)(H2,33,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139636
(3-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido...)Show SMILES CNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)c1 Show InChI InChI=1S/C22H17ClF3N3O3/c1-27-20(30)13-3-2-4-17(11-13)32-16-8-5-14(6-9-16)28-21(31)29-15-7-10-19(23)18(12-15)22(24,25)26/h2-12H,1H3,(H,27,30)(H2,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114252
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(py...)Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(SCc2ccncc2)cc1)C(C)(C)C Show InChI InChI=1S/C21H25N5OS/c1-21(2,3)18-13-19(26(4)25-18)24-20(27)23-16-5-7-17(8-6-16)28-14-15-9-11-22-12-10-15/h5-13H,14H2,1-4H3,(H2,23,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139599
(5-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido...)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3cncc(c3)C(=O)NCCN3CCOCC3)cc2)ccc1Cl Show InChI InChI=1S/C26H25ClF3N5O4/c27-23-6-3-19(14-22(23)26(28,29)30)34-25(37)33-18-1-4-20(5-2-18)39-21-13-17(15-31-16-21)24(36)32-7-8-35-9-11-38-12-10-35/h1-6,13-16H,7-12H2,(H,32,36)(H2,33,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139613
(3-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-pheno...)Show SMILES CCCNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2)c1 Show InChI InChI=1S/C24H28N4O4/c1-5-13-25-22(29)16-7-6-8-19(14-16)31-18-11-9-17(10-12-18)26-23(30)27-21-15-20(32-28-21)24(2,3)4/h6-12,14-15H,5,13H2,1-4H3,(H,25,29)(H2,26,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139608
(CHEMBL164827 | N-(6-Methoxy-pyridin-3-yl)-3-{4-[3-...)Show SMILES COc1ccc(NC(=O)c2cccc(Oc3ccc(NC(=O)Nc4cc(ccc4OC)C(F)(F)F)cc3)c2)cn1 Show InChI InChI=1S/C28H23F3N4O5/c1-38-24-12-6-18(28(29,30)31)15-23(24)35-27(37)34-19-7-10-21(11-8-19)40-22-5-3-4-17(14-22)26(36)33-20-9-13-25(39-2)32-16-20/h3-16H,1-2H3,(H,33,36)(H2,34,35,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139622
(3-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido...)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3cccc(c3)C(=O)Nc3ccc(cc3)N3CCOCC3)cc2)ccc1Cl Show InChI InChI=1S/C31H26ClF3N4O4/c32-28-13-8-23(19-27(28)31(33,34)35)38-30(41)37-22-6-11-25(12-7-22)43-26-3-1-2-20(18-26)29(40)36-21-4-9-24(10-5-21)39-14-16-42-17-15-39/h1-13,18-19H,14-17H2,(H,36,40)(H2,37,38,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139630
(3-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido...)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3cccc(c3)C(=O)NCCNc3ccccc3)cc2)ccc1Cl Show InChI InChI=1S/C29H24ClF3N4O3/c30-26-14-11-22(18-25(26)29(31,32)33)37-28(39)36-21-9-12-23(13-10-21)40-24-8-4-5-19(17-24)27(38)35-16-15-34-20-6-2-1-3-7-20/h1-14,17-18,34H,15-16H2,(H,35,38)(H2,36,37,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50114249
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-p-t...)Show SMILES Cc1ccc(Oc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C22H26N4O2/c1-15-6-10-17(11-7-15)28-18-12-8-16(9-13-18)23-21(27)24-20-14-19(22(2,3)4)25-26(20)5/h6-14H,1-5H3,(H2,23,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 |
Bioorg Med Chem Lett 12: 1559-62 (2002)
BindingDB Entry DOI: 10.7270/Q2CV4H28 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139624
(1-(4-bromo-3-(trifluoromethyl)phenyl)-3-(4-(2-(dim...)Show SMILES CN(C)C(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Br)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C22H18BrF3N4O3/c1-30(2)20(31)19-12-16(9-10-27-19)33-15-6-3-13(4-7-15)28-21(32)29-14-5-8-18(23)17(11-14)22(24,25)26/h3-12H,1-2H3,(H2,28,29,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Raf-1 kinase |
Bioorg Med Chem Lett 14: 783-6 (2004)
BindingDB Entry DOI: 10.7270/Q2TM79JT |
More data for this
Ligand-Target Pair | |
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