Found 25 hits of ec50 for UniProtKB: P04049 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/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)) | BDBM87998
(US10245267, Example 1029 | US10709712, Example 103...)Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(O[C@H]2CCOC[C@H]2F)c(c1)N1CCOCC1 |r| Show InChI InChI=1S/C28H28F4N4O4/c1-17-22(13-21(15-33-17)35-26(37)18-3-2-4-20(11-18)28(30,31)32)19-12-24(36-6-9-38-10-7-36)27(34-14-19)40-25-5-8-39-16-23(25)29/h2-4,11-15,23,25H,5-10,16H2,1H3,(H,35,37)/t23-,25+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of CRAF in human Calu6 cells assessed as reduction MEK phosphorylation measured after 1 hr by sandwich ELISA |
J Med Chem 63: 2013-2027 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00161
BindingDB Entry DOI: 10.7270/Q20G3PG4 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM202784
(US10245267, Example 131 | US10709712, Example 131 ...)Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1 Show InChI InChI=1S/C28H29F3N4O4/c1-18-24(15-22(17-32-18)34-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-38-12-8-35)27(33-16-20)39-23-5-9-37-10-6-23/h2-4,13-17,23H,5-12H2,1H3,(H,34,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of CRAF in human Calu6 cells assessed as reduction MEK phosphorylation measured after 1 hr by sandwich ELISA |
J Med Chem 63: 2013-2027 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00161
BindingDB Entry DOI: 10.7270/Q20G3PG4 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50510891
(CHEMBL4455996)Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(NCCO)nc(c1)N1CCOCC1 Show InChI InChI=1S/C25H26F3N5O3/c1-16-2-3-19(31-24(35)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(30-6-9-34)32-23(14-18)33-7-10-36-11-8-33/h2-5,12-15,34H,6-11H2,1H3,(H,30,32)(H,31,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of CRAF in human Calu6 cells assessed as reduction MEK phosphorylation measured after 1 hr by sandwich ELISA |
J Med Chem 63: 2013-2027 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00161
BindingDB Entry DOI: 10.7270/Q20G3PG4 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM84365
(US10245267, Example 636 | US10709712, Example 636 ...)Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(N2CCOCC2)c(OC2CCOCC2)nn1 Show InChI InChI=1S/C27H28F3N5O4/c1-17-22(14-20(16-31-17)32-25(36)18-3-2-4-19(13-18)27(28,29)30)23-15-24(35-7-11-38-12-8-35)26(34-33-23)39-21-5-9-37-10-6-21/h2-4,13-16,21H,5-12H2,1H3,(H,32,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of CRAF in human Calu6 cells assessed as reduction MEK phosphorylation measured after 1 hr by sandwich ELISA |
J Med Chem 63: 2013-2027 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00161
BindingDB Entry DOI: 10.7270/Q20G3PG4 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM88120
(US10245267, Example 1156 | US10709712, Example 115...)Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)N1CCOCC1 Show InChI InChI=1S/C25H25F3N4O4/c1-16-2-3-19(30-24(34)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(32-6-9-35-10-7-32)31-23(14-18)36-11-8-33/h2-5,12-15,33H,6-11H2,1H3,(H,30,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of CRAF in human Calu6 cells assessed as reduction MEK phosphorylation measured after 1 hr by sandwich ELISA |
J Med Chem 63: 2013-2027 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00161
BindingDB Entry DOI: 10.7270/Q20G3PG4 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM202784
(US10245267, Example 131 | US10709712, Example 131 ...)Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1 Show InChI InChI=1S/C28H29F3N4O4/c1-18-24(15-22(17-32-18)34-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-38-12-8-35)27(33-16-20)39-23-5-9-37-10-6-23/h2-4,13-17,23H,5-12H2,1H3,(H,34,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition CRAF in human Calu6 cells assessed as decrease in MEK phosphorylation after 2 hrs by HTRF method |
J Med Chem 60: 4869-4881 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01862
BindingDB Entry DOI: 10.7270/Q2F191ZC |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50510889
(CHEMBL4475855)Show SMILES CO[C@H]1COCC[C@@H]1Oc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)cnc1C |r| Show InChI InChI=1S/C29H31F3N4O5/c1-18-23(14-22(16-33-18)35-27(37)19-4-3-5-21(12-19)29(30,31)32)20-13-24(36-7-10-39-11-8-36)28(34-15-20)41-25-6-9-40-17-26(25)38-2/h3-5,12-16,25-26H,6-11,17H2,1-2H3,(H,35,37)/t25-,26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of CRAF in human Calu6 cells assessed as reduction MEK phosphorylation measured after 1 hr by sandwich ELISA |
J Med Chem 63: 2013-2027 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00161
BindingDB Entry DOI: 10.7270/Q20G3PG4 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM88006
(US10245267, Example 1041 | US10709712, Example 104...)Show SMILES Cc1ncc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cc(NCCO)nc(c1)N1CCOCC1 Show InChI InChI=1S/C25H28F2N6O3/c1-16-20(18-12-22(29-5-8-34)32-23(13-18)33-6-9-36-10-7-33)14-19(15-30-16)31-24(35)17-3-4-28-21(11-17)25(2,26)27/h3-4,11-15,34H,5-10H2,1-2H3,(H,29,32)(H,31,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 27 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of CRAF in human Calu6 cells assessed as reduction MEK phosphorylation measured after 1 hr by sandwich ELISA |
J Med Chem 63: 2013-2027 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00161
BindingDB Entry DOI: 10.7270/Q20G3PG4 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM202839
(US10245267, Example 640 | US10709712, Example 191 ...)Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1 Show InChI InChI=1S/C26H28N6O3/c1-17-5-6-19(29-24(33)18-7-8-28-23(13-18)26(2,3)16-27)14-20(17)21-15-22(25(34)31(4)30-21)32-9-11-35-12-10-32/h5-8,13-15H,9-12H2,1-4H3,(H,29,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 52 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of CRAF in human Calu6 cells assessed as reduction MEK phosphorylation measured after 1 hr by sandwich ELISA |
J Med Chem 63: 2013-2027 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00161
BindingDB Entry DOI: 10.7270/Q20G3PG4 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM202686
(US10245267, Example 31 | US10709712, Example 31 | ...)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(NCCO)n1)N1CCOCC1 Show InChI InChI=1S/C25H26F3N5O3/c1-16-5-6-19(30-23(35)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-22(33-8-11-36-12-9-33)32-24(31-21)29-7-10-34/h2-6,13-15,34H,7-12H2,1H3,(H,30,35)(H,29,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 61 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of CRAF in human Calu6 cells assessed as reduction MEK phosphorylation measured after 1 hr by sandwich ELISA |
J Med Chem 63: 2013-2027 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00161
BindingDB Entry DOI: 10.7270/Q20G3PG4 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50510890
(CHEMBL4593446)Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(O)c(c1)N1CCOCC1 Show InChI InChI=1S/C23H21F3N4O3/c1-14-19(16-10-20(22(32)28-12-16)30-5-7-33-8-6-30)11-18(13-27-14)29-21(31)15-3-2-4-17(9-15)23(24,25)26/h2-4,9-13H,5-8H2,1H3,(H,28,32)(H,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 64 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of CRAF in human Calu6 cells assessed as reduction MEK phosphorylation measured after 1 hr by sandwich ELISA |
J Med Chem 63: 2013-2027 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00161
BindingDB Entry DOI: 10.7270/Q20G3PG4 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM202770
(US10245267, Example 117 | US10709712, Example 117 ...)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1 Show InChI InChI=1S/C25H24F3N3O3/c1-16-6-7-20(29-23(32)17-4-3-5-19(12-17)25(26,27)28)14-21(16)18-13-22(24(33)30(2)15-18)31-8-10-34-11-9-31/h3-7,12-15H,8-11H2,1-2H3,(H,29,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 76 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition CRAF in human Calu6 cells assessed as decrease in MEK phosphorylation after 2 hrs by HTRF method |
J Med Chem 60: 4869-4881 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01862
BindingDB Entry DOI: 10.7270/Q2F191ZC |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM202656
(US10245267, Example 1 | US10709712, Example 1 | US...)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(ncn1)N1CCOCC1 Show InChI InChI=1S/C23H21F3N4O2/c1-15-5-6-18(29-22(31)16-3-2-4-17(11-16)23(24,25)26)12-19(15)20-13-21(28-14-27-20)30-7-9-32-10-8-30/h2-6,11-14H,7-10H2,1H3,(H,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition CRAF in human Calu6 cells assessed as decrease in MEK phosphorylation after 2 hrs by HTRF method |
J Med Chem 60: 4869-4881 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01862
BindingDB Entry DOI: 10.7270/Q2F191ZC |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM202798
(US10245267, Example 145 | US10709712, Example 145 ...)Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(OCCO)c(c1)N1CCOCC1 Show InChI InChI=1S/C25H25F3N4O4/c1-16-21(18-12-22(32-5-8-35-9-6-32)24(30-14-18)36-10-7-33)13-20(15-29-16)31-23(34)17-3-2-4-19(11-17)25(26,27)28/h2-4,11-15,33H,5-10H2,1H3,(H,31,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition CRAF in human Calu6 cells assessed as decrease in MEK phosphorylation after 2 hrs by HTRF method |
J Med Chem 60: 4869-4881 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01862
BindingDB Entry DOI: 10.7270/Q2F191ZC |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM202784
(US10245267, Example 131 | US10709712, Example 131 ...)Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1 Show InChI InChI=1S/C28H29F3N4O4/c1-18-24(15-22(17-32-18)34-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-38-12-8-35)27(33-16-20)39-23-5-9-37-10-6-23/h2-4,13-17,23H,5-12H2,1H3,(H,34,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of CRAF in human Calu6 cells assessed as decrease in ERK phosphorylation |
J Med Chem 60: 4869-4881 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01862
BindingDB Entry DOI: 10.7270/Q2F191ZC |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM202772
(US10245267, Example 119 | US10709712, Example 119 ...)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cn(C)c(=O)c(n1)N1CCOCC1 Show InChI InChI=1S/C24H23F3N4O3/c1-15-6-7-18(28-22(32)16-4-3-5-17(12-16)24(25,26)27)13-19(15)20-14-30(2)23(33)21(29-20)31-8-10-34-11-9-31/h3-7,12-14H,8-11H2,1-2H3,(H,28,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition CRAF in human Calu6 cells assessed as decrease in MEK phosphorylation after 2 hrs by HTRF method |
J Med Chem 60: 4869-4881 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01862
BindingDB Entry DOI: 10.7270/Q2F191ZC |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50237792
(CHEMBL4081025)Show SMILES Cc1ccc(cc1-c1cc(ncn1)N1CCOCC1)C(=O)Nc1cccc(c1)C(C)(C)C Show InChI InChI=1S/C26H30N4O2/c1-18-8-9-19(25(31)29-21-7-5-6-20(15-21)26(2,3)4)14-22(18)23-16-24(28-17-27-23)30-10-12-32-13-11-30/h5-9,14-17H,10-13H2,1-4H3,(H,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition CRAF in human Calu6 cells assessed as decrease in MEK phosphorylation after 2 hrs by HTRF method |
J Med Chem 60: 4869-4881 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01862
BindingDB Entry DOI: 10.7270/Q2F191ZC |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM202716
(US10245267, Example 62 | US10709712, Example 62 | ...)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccnc(c1)N1CCOCC1 Show InChI InChI=1S/C24H22F3N3O2/c1-16-5-6-20(29-23(31)18-3-2-4-19(13-18)24(25,26)27)15-21(16)17-7-8-28-22(14-17)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition CRAF in human Calu6 cells assessed as decrease in MEK phosphorylation after 2 hrs by HTRF method |
J Med Chem 60: 4869-4881 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01862
BindingDB Entry DOI: 10.7270/Q2F191ZC |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM202780
(US10245267, Example 127 | US10709712, Example 127 ...)Show SMILES COc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)cnc1C Show InChI InChI=1S/C24H23F3N4O3/c1-15-20(17-11-21(23(33-2)29-13-17)31-6-8-34-9-7-31)12-19(14-28-15)30-22(32)16-4-3-5-18(10-16)24(25,26)27/h3-5,10-14H,6-9H2,1-2H3,(H,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 250 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition CRAF in human Calu6 cells assessed as decrease in MEK phosphorylation after 2 hrs by HTRF method |
J Med Chem 60: 4869-4881 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01862
BindingDB Entry DOI: 10.7270/Q2F191ZC |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM202787
(US10245267, Example 134 | US10709712, Example 134 ...)Show SMILES CC(C)Oc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)cnc1C Show InChI InChI=1S/C26H27F3N4O3/c1-16(2)36-25-23(33-7-9-35-10-8-33)12-19(14-31-25)22-13-21(15-30-17(22)3)32-24(34)18-5-4-6-20(11-18)26(27,28)29/h4-6,11-16H,7-10H2,1-3H3,(H,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition CRAF in human Calu6 cells assessed as decrease in MEK phosphorylation after 2 hrs by HTRF method |
J Med Chem 60: 4869-4881 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01862
BindingDB Entry DOI: 10.7270/Q2F191ZC |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM202791
(US10245267, Example 138 | US10709712, Example 138 ...)Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1 Show InChI InChI=1S/C24H23F3N4O3/c1-15-20(17-11-21(23(33)30(2)14-17)31-6-8-34-9-7-31)12-19(13-28-15)29-22(32)16-4-3-5-18(10-16)24(25,26)27/h3-5,10-14H,6-9H2,1-2H3,(H,29,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 460 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition CRAF in human Calu6 cells assessed as decrease in MEK phosphorylation after 2 hrs by HTRF method |
J Med Chem 60: 4869-4881 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01862
BindingDB Entry DOI: 10.7270/Q2F191ZC |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50396483
(PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 601 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Stimulation of BRAF-CRAF dimerization in human HCT116 cells by luciferase complementation assay |
J Med Chem 60: 4869-4881 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01862
BindingDB Entry DOI: 10.7270/Q2F191ZC |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50237798
(CHEMBL4105276)Show SMILES Cc1ccc(cc1-c1cc(ncn1)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H21F3N4O2/c1-15-5-6-16(22(31)29-18-4-2-3-17(12-18)23(24,25)26)11-19(15)20-13-21(28-14-27-20)30-7-9-32-10-8-30/h2-6,11-14H,7-10H2,1H3,(H,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | n/a | 700 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition CRAF in human Calu6 cells assessed as decrease in MEK phosphorylation after 2 hrs by HTRF method |
J Med Chem 60: 4869-4881 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01862
BindingDB Entry DOI: 10.7270/Q2F191ZC |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM202784
(US10245267, Example 131 | US10709712, Example 131 ...)Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1 Show InChI InChI=1S/C28H29F3N4O4/c1-18-24(15-22(17-32-18)34-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-38-12-8-35)27(33-16-20)39-23-5-9-37-10-6-23/h2-4,13-17,23H,5-12H2,1H3,(H,34,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 796 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Stimulation of BRAF-CRAF dimerization in human HCT116 cells by luciferase complementation assay |
J Med Chem 60: 4869-4881 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01862
BindingDB Entry DOI: 10.7270/Q2F191ZC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM77953
(US10245267, Example 390 | US10709712, Example 390 ...)Show SMILES Cc1ncc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1 Show InChI InChI=1S/C23H22F3N5O3/c1-14-18(16-9-19(22(33)30(2)13-16)31-5-7-34-8-6-31)11-17(12-28-14)29-21(32)15-3-4-27-20(10-15)23(24,25)26/h3-4,9-13H,5-8H2,1-2H3,(H,29,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.96E+3 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition CRAF in human Calu6 cells assessed as decrease in MEK phosphorylation after 2 hrs by HTRF method |
J Med Chem 60: 4869-4881 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01862
BindingDB Entry DOI: 10.7270/Q2F191ZC |
More data for this
Ligand-Target Pair | |
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