Found 43 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 |
|---|
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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)) | 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 | |
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 | |
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 | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50139625
(3-{4-[3-(2-Methoxy-5-trifluoromethyl-phenyl)-ureid...)Show SMILES COc1ccc(cc1NC(=O)Nc1ccc(Oc2cccc(c2)C(=O)Nc2ccc(cc2)N2CCOCC2)cc1)C(F)(F)F Show InChI InChI=1S/C32H29F3N4O5/c1-42-29-14-5-22(32(33,34)35)20-28(29)38-31(41)37-24-8-12-26(13-9-24)44-27-4-2-3-21(19-27)30(40)36-23-6-10-25(11-7-23)39-15-17-43-18-16-39/h2-14,19-20H,15-18H2,1H3,(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 | 210 | 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)) | BDBM50139604
(1-(5-tert-Butyl-isoxazol-3-yl)-3-[4-(pyridin-4-ylo...)Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)no1 Show InChI InChI=1S/C19H20N4O3/c1-19(2,3)16-12-17(23-26-16)22-18(24)21-13-4-6-14(7-5-13)25-15-8-10-20-11-9-15/h4-12H,1-3H3,(H2,21,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 230 | 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)) | BDBM50139607
(3-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido...)Show SMILES CN(C)c1ccc(NC(=O)c2cccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc3)c2)cc1 Show InChI InChI=1S/C29H24ClF3N4O3/c1-37(2)22-11-6-19(7-12-22)34-27(38)18-4-3-5-24(16-18)40-23-13-8-20(9-14-23)35-28(39)36-21-10-15-26(30)25(17-21)29(31,32)33/h3-17H,1-2H3,(H,34,38)(H2,35,36,39) | 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 | 230 | 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)) | BDBM50139632
(3-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido...)Show SMILES CCC1CCCN1CNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)c1 Show InChI InChI=1S/C28H28ClF3N4O3/c1-2-21-6-4-14-36(21)17-33-26(37)18-5-3-7-23(15-18)39-22-11-8-19(9-12-22)34-27(38)35-20-10-13-25(29)24(16-20)28(30,31)32/h3,5,7-13,15-16,21H,2,4,6,14,17H2,1H3,(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
| PubMed
| n/a | n/a | 270 | 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)) | BDBM50139610
(4-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido...)Show SMILES CN(C)C(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C22H18ClF3N4O3/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 | 300 | 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)) | BDBM50139631
(4-{4-[3-(2-Methoxy-5-trifluoromethyl-phenyl)-ureid...)Show SMILES COc1ccc(cc1NC(=O)Nc1ccc(Oc2ccnc(c2)C(=O)N(C)C)cc1)C(F)(F)F Show InChI InChI=1S/C23H21F3N4O4/c1-30(2)21(31)19-13-17(10-11-27-19)34-16-7-5-15(6-8-16)28-22(32)29-18-12-14(23(24,25)26)4-9-20(18)33-3/h4-13H,1-3H3,(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 | 330 | 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)) | BDBM50139619
(3-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-pheno...)Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3cccc(c3)C(=O)Nc3ccccc3)cc2)no1 Show InChI InChI=1S/C27H26N4O4/c1-27(2,3)23-17-24(31-35-23)30-26(33)29-20-12-14-21(15-13-20)34-22-11-7-8-18(16-22)25(32)28-19-9-5-4-6-10-19/h4-17H,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
Similars
| PubMed
| n/a | n/a | 370 | 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)) | BDBM50139600
(CHEMBL164015 | N-(4-Dimethylamino-phenyl)-3-{4-[3-...)Show SMILES COc1ccc(cc1NC(=O)Nc1ccc(Oc2cccc(c2)C(=O)Nc2ccc(cc2)N(C)C)cc1)C(F)(F)F Show InChI InChI=1S/C30H27F3N4O4/c1-37(2)23-12-8-21(9-13-23)34-28(38)19-5-4-6-25(17-19)41-24-14-10-22(11-15-24)35-29(39)36-26-18-20(30(31,32)33)7-16-27(26)40-3/h4-18H,1-3H3,(H,34,38)(H2,35,36,39) | 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 | 410 | 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)) | BDBM50139633
(4-{4-[3-(2-Methoxy-5-trifluoromethyl-phenyl)-ureid...)Show SMILES CCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(ccc3OC)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C23H21F3N4O4/c1-3-27-21(31)19-13-17(10-11-28-19)34-16-7-5-15(6-8-16)29-22(32)30-18-12-14(23(24,25)26)4-9-20(18)33-2/h4-13H,3H2,1-2H3,(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 | 460 | 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)) | BDBM50139603
(CHEMBL164029 | N-Benzyl-3-{4-[3-(5-tert-butyl-isox...)Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3cccc(c3)C(=O)NCc3ccccc3)cc2)no1 Show InChI InChI=1S/C28H28N4O4/c1-28(2,3)24-17-25(32-36-24)31-27(34)30-21-12-14-22(15-13-21)35-23-11-7-10-20(16-23)26(33)29-18-19-8-5-4-6-9-19/h4-17H,18H2,1-3H3,(H,29,33)(H2,30,31,32,34) | 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 | 460 | 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)) | BDBM50139615
(4-{4-[3-(2-Methoxy-5-trifluoromethyl-phenyl)-ureid...)Show SMILES COc1ccc(cc1NC(=O)Nc1ccc(Oc2ccnc(c2)C(=O)NCC(C)C)cc1)C(F)(F)F Show InChI InChI=1S/C25H25F3N4O4/c1-15(2)14-30-23(33)21-13-19(10-11-29-21)36-18-7-5-17(6-8-18)31-24(34)32-20-12-16(25(26,27)28)4-9-22(20)35-3/h4-13,15H,14H2,1-3H3,(H,30,33)(H2,31,32,34) | 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 | 500 | 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)) | BDBM50105619
(1-(5-tert-Butyl-isoxazol-3-yl)-3-(4-phenoxy-phenyl...)Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)no1 Show InChI InChI=1S/C20H21N3O3/c1-20(2,3)17-13-18(23-26-17)22-19(24)21-14-9-11-16(12-10-14)25-15-7-5-4-6-8-15/h4-13H,1-3H3,(H2,21,22,23,24) | 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 | 1.10E+3 | 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)) | BDBM50139634
(4-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido...)Show SMILES CC(C)NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C23H20ClF3N4O3/c1-13(2)29-21(32)20-12-17(9-10-28-20)34-16-6-3-14(4-7-16)30-22(33)31-15-5-8-19(24)18(11-15)23(25,26)27/h3-13H,1-2H3,(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
Patents
Similars
| PubMed
| n/a | n/a | 2.30E+3 | 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)) | BDBM50139616
(3-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-pheno...)Show SMILES CN(C)C(=O)c1cccc(Oc2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2)c1 Show InChI InChI=1S/C23H26N4O4/c1-23(2,3)19-14-20(26-31-19)25-22(29)24-16-9-11-17(12-10-16)30-18-8-6-7-15(13-18)21(28)27(4)5/h6-14H,1-5H3,(H2,24,25,26,29) | 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 | 5.80E+3 | 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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