Found 57 hits Enz. Inhib. hit(s) with all data for entry = 50007260 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50507712
(CHEMBL4438001)Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]ccc12)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C24H20ClN5O2/c1-14-5-6-15(22(31)29-17-4-2-3-16(25)12-17)11-19(14)30-23(32)24(8-9-24)20-18-7-10-26-21(18)28-13-27-20/h2-7,10-13H,8-9H2,1H3,(H,29,31)(H,30,32)(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged BRAF V600E mutant (416 to 766 residues) using human full length 6His-tagged MEK1 (K97R) as substrate preincubated for ... |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50507707
(CHEMBL4466555)Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C24H18ClF3N6O2/c1-12-2-3-13(21(35)33-14-4-5-16(25)15(9-14)24(26,27)28)8-17(12)34-22(36)23(6-7-23)19-18-20(31-10-29-18)32-11-30-19/h2-5,8-11H,6-7H2,1H3,(H,33,35)(H,34,36)(H,29,30,31,32) | 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 | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human cRAF using MEK1 (K97R) as substrate by [gamma-33P]-ATP assay |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50507707
(CHEMBL4466555)Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C24H18ClF3N6O2/c1-12-2-3-13(21(35)33-14-4-5-16(25)15(9-14)24(26,27)28)8-17(12)34-22(36)23(6-7-23)19-18-20(31-10-29-18)32-11-30-19/h2-5,8-11H,6-7H2,1H3,(H,33,35)(H,34,36)(H,29,30,31,32) | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human BRAF using MEK1 (K97R) as substrate by [gamma-33P]-ATP assay |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase A-Raf
(Homo sapiens (Human)) | BDBM50507707
(CHEMBL4466555)Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C24H18ClF3N6O2/c1-12-2-3-13(21(35)33-14-4-5-16(25)15(9-14)24(26,27)28)8-17(12)34-22(36)23(6-7-23)19-18-20(31-10-29-18)32-11-30-19/h2-5,8-11H,6-7H2,1H3,(H,33,35)(H,34,36)(H,29,30,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human ARAF using MEK1 as substrate by [gamma-33P]-ATP assay |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50507718
(CHEMBL4545914)Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]ccc12)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C24H20ClN5O2/c1-14-2-3-15(22(31)29-17-6-4-16(25)5-7-17)12-19(14)30-23(32)24(9-10-24)20-18-8-11-26-21(18)28-13-27-20/h2-8,11-13H,9-10H2,1H3,(H,29,31)(H,30,32)(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged BRAF V600E mutant (416 to 766 residues) using human full length 6His-tagged MEK1 (K97R) as substrate preincubated for ... |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase A-Raf
(Homo sapiens (Human)) | BDBM50096279
(CHEMBL3577124)Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of ARaf (unknown origin) |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50096279
(CHEMBL3577124)Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of BRAF (unknown origin) |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50507707
(CHEMBL4466555)Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C24H18ClF3N6O2/c1-12-2-3-13(21(35)33-14-4-5-16(25)15(9-14)24(26,27)28)8-17(12)34-22(36)23(6-7-23)19-18-20(31-10-29-18)32-11-30-19/h2-5,8-11H,6-7H2,1H3,(H,33,35)(H,34,36)(H,29,30,31,32) | 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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human BRAF V600E mutant using MEK1 (K97R) as substrate by [gamma-33P]-ATP assay |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50507710
(CHEMBL4559599)Show SMILES Cc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1NC(=O)C1(CC1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C25H20ClF3N6O2/c1-13-2-3-15(34-23(37)33-14-4-5-18(26)17(10-14)25(27,28)29)11-19(13)35-22(36)24(7-8-24)20-16-6-9-30-21(16)32-12-31-20/h2-6,9-12H,7-8H2,1H3,(H,35,36)(H,30,31,32)(H2,33,34,37) | 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 | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged BRAF V600E mutant (416 to 766 residues) using human full length 6His-tagged MEK1 (K97R) as substrate preincubated for ... |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase A-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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of ARaf (unknown origin) |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50507717
(CHEMBL4518581)Show SMILES Cc1ccc(NC(=O)c2ccc(Cl)c(c2)C(F)(F)F)cc1NC(=O)C1(CC1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C25H19ClF3N5O2/c1-13-2-4-15(33-22(35)14-3-5-18(26)17(10-14)25(27,28)29)11-19(13)34-23(36)24(7-8-24)20-16-6-9-30-21(16)32-12-31-20/h2-6,9-12H,7-8H2,1H3,(H,33,35)(H,34,36)(H,30,31,32) | 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 | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged BRAF V600E mutant (416 to 766 residues) using human full length 6His-tagged MEK1 (K97R) as substrate preincubated for ... |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50507707
(CHEMBL4466555)Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C24H18ClF3N6O2/c1-12-2-3-13(21(35)33-14-4-5-16(25)15(9-14)24(26,27)28)8-17(12)34-22(36)23(6-7-23)19-18-20(31-10-29-18)32-11-30-19/h2-5,8-11H,6-7H2,1H3,(H,33,35)(H,34,36)(H,29,30,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human DDR2 using KKSRGDYMTMQIG as substrate by [gamma-33P]-ATP assay |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50507709
(CHEMBL4438236)Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]ccc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C25H19ClF3N5O2/c1-13-2-3-14(22(35)33-15-4-5-18(26)17(11-15)25(27,28)29)10-19(13)34-23(36)24(7-8-24)20-16-6-9-30-21(16)32-12-31-20/h2-6,9-12H,7-8H2,1H3,(H,33,35)(H,34,36)(H,30,31,32) | 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 | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of cRAF (unknown origin) |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Epithelial discoidin domain-containing receptor 1
(Homo sapiens (Human)) | BDBM50507707
(CHEMBL4466555)Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C24H18ClF3N6O2/c1-12-2-3-13(21(35)33-14-4-5-16(25)15(9-14)24(26,27)28)8-17(12)34-22(36)23(6-7-23)19-18-20(31-10-29-18)32-11-30-19/h2-5,8-11H,6-7H2,1H3,(H,33,35)(H,34,36)(H,29,30,31,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human DDR1 using KKSRGDYMTMQIG as substrate by [gamma-33P]-ATP assay |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50507709
(CHEMBL4438236)Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]ccc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C25H19ClF3N5O2/c1-13-2-3-14(22(35)33-15-4-5-18(26)17(11-15)25(27,28)29)10-19(13)34-23(36)24(7-8-24)20-16-6-9-30-21(16)32-12-31-20/h2-6,9-12H,7-8H2,1H3,(H,33,35)(H,34,36)(H,30,31,32) | 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 | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged BRAF V600E mutant (416 to 766 residues) using human full length 6His-tagged MEK1 (K97R) as substrate preincubated for ... |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50096279
(CHEMBL3577124)Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of cRAF (unknown origin) |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50507707
(CHEMBL4466555)Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C24H18ClF3N6O2/c1-12-2-3-13(21(35)33-14-4-5-16(25)15(9-14)24(26,27)28)8-17(12)34-22(36)23(6-7-23)19-18-20(31-10-29-18)32-11-30-19/h2-5,8-11H,6-7H2,1H3,(H,33,35)(H,34,36)(H,29,30,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human FMS using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50507707
(CHEMBL4466555)Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C24H18ClF3N6O2/c1-12-2-3-13(21(35)33-14-4-5-16(25)15(9-14)24(26,27)28)8-17(12)34-22(36)23(6-7-23)19-18-20(31-10-29-18)32-11-30-19/h2-5,8-11H,6-7H2,1H3,(H,33,35)(H,34,36)(H,29,30,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human RET using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50096279
(CHEMBL3577124)Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged BRAF V600E mutant (416 to 766 residues) using human full length 6His-tagged MEK1 (K97R) as substrate preincubated for ... |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50507714
(CHEMBL4457131)Show SMILES Cc1ccc(cc1NC(=O)C(C)(C)c1ncnc2[nH]ccc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C25H21ClF3N5O2/c1-13-4-5-14(22(35)33-15-6-7-18(26)17(11-15)25(27,28)29)10-19(13)34-23(36)24(2,3)20-16-8-9-30-21(16)32-12-31-20/h4-12H,1-3H3,(H,33,35)(H,34,36)(H,30,31,32) | 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 | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged BRAF V600E mutant (416 to 766 residues) using human full length 6His-tagged MEK1 (K97R) as substrate preincubated for ... |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
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
Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of cRAF (unknown origin) |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of BRAF (unknown origin) |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase A-Raf
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
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PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of ARaf (unknown origin) |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50507719
(CHEMBL4439157)Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]ccc12)C(=O)Nc1ccc(OCCCN2CCOCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C32H33F3N6O4/c1-20-3-4-21(17-25(20)40-30(43)31(8-9-31)27-23-7-10-36-28(23)38-19-37-27)29(42)39-22-5-6-26(24(18-22)32(33,34)35)45-14-2-11-41-12-15-44-16-13-41/h3-7,10,17-19H,2,8-9,11-16H2,1H3,(H,39,42)(H,40,43)(H,36,37,38) | 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 | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged BRAF V600E mutant (416 to 766 residues) using human full length 6His-tagged MEK1 (K97R) as substrate preincubated for ... |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase A-Raf
(Homo sapiens (Human)) | BDBM50507709
(CHEMBL4438236)Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]ccc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C25H19ClF3N5O2/c1-13-2-3-14(22(35)33-15-4-5-18(26)17(11-15)25(27,28)29)10-19(13)34-23(36)24(7-8-24)20-16-6-9-30-21(16)32-12-31-20/h2-6,9-12H,7-8H2,1H3,(H,33,35)(H,34,36)(H,30,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of ARaf (unknown origin) |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50507709
(CHEMBL4438236)Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]ccc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C25H19ClF3N5O2/c1-13-2-3-14(22(35)33-15-4-5-18(26)17(11-15)25(27,28)29)10-19(13)34-23(36)24(7-8-24)20-16-6-9-30-21(16)32-12-31-20/h2-6,9-12H,7-8H2,1H3,(H,33,35)(H,34,36)(H,30,31,32) | 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 | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of BRAF (unknown origin) |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50507711
(CHEMBL4471370)Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]ccc12)C(=O)Nc1cccc(F)c1 Show InChI InChI=1S/C24H20FN5O2/c1-14-5-6-15(22(31)29-17-4-2-3-16(25)12-17)11-19(14)30-23(32)24(8-9-24)20-18-7-10-26-21(18)28-13-27-20/h2-7,10-13H,8-9H2,1H3,(H,29,31)(H,30,32)(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged BRAF V600E mutant (416 to 766 residues) using human full length 6His-tagged MEK1 (K97R) as substrate preincubated for ... |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50507705
(CHEMBL4436132)Show SMILES CN1CCC(COc2ccc(NC(=O)c3ccc(C)c(NC(=O)C4(CC4)c4ncnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C32H33F3N6O3/c1-19-3-4-21(15-25(19)40-30(43)31(10-11-31)27-23-7-12-36-28(23)38-18-37-27)29(42)39-22-5-6-26(24(16-22)32(33,34)35)44-17-20-8-13-41(2)14-9-20/h3-7,12,15-16,18,20H,8-11,13-14,17H2,1-2H3,(H,39,42)(H,40,43)(H,36,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged BRAF V600E mutant (416 to 766 residues) using human full length 6His-tagged MEK1 (K97R) as substrate preincubated for ... |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50507713
(CHEMBL4555839)Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]ccc12)C(=O)Nc1ccc(N2CCOCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C29H27F3N6O3/c1-17-2-3-18(14-22(17)37-27(40)28(7-8-28)24-20-6-9-33-25(20)35-16-34-24)26(39)36-19-4-5-23(21(15-19)29(30,31)32)38-10-12-41-13-11-38/h2-6,9,14-16H,7-8,10-13H2,1H3,(H,36,39)(H,37,40)(H,33,34,35) | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged BRAF V600E mutant (416 to 766 residues) using human full length 6His-tagged MEK1 (K97R) as substrate preincubated for ... |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50507707
(CHEMBL4466555)Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C24H18ClF3N6O2/c1-12-2-3-13(21(35)33-14-4-5-16(25)15(9-14)24(26,27)28)8-17(12)34-22(36)23(6-7-23)19-18-20(31-10-29-18)32-11-30-19/h2-5,8-11H,6-7H2,1H3,(H,33,35)(H,34,36)(H,29,30,31,32) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human EPHA2 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50507704
(CHEMBL4586402)Show SMILES CN1CCC(CC1)Oc1ccc(NC(=O)c2ccc(C)c(NC(=O)C3(CC3)c3ncnc4[nH]ccc34)c2)cc1C(F)(F)F Show InChI InChI=1S/C31H31F3N6O3/c1-18-3-4-19(15-24(18)39-29(42)30(10-11-30)26-22-7-12-35-27(22)37-17-36-26)28(41)38-20-5-6-25(23(16-20)31(32,33)34)43-21-8-13-40(2)14-9-21/h3-7,12,15-17,21H,8-11,13-14H2,1-2H3,(H,38,41)(H,39,42)(H,35,36,37) | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged BRAF V600E mutant (416 to 766 residues) using human full length 6His-tagged MEK1 (K97R) as substrate preincubated for ... |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50507715
(CHEMBL4588013)Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]ccc12)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C24H20FN5O2/c1-14-2-3-15(22(31)29-17-6-4-16(25)5-7-17)12-19(14)30-23(32)24(9-10-24)20-18-8-11-26-21(18)28-13-27-20/h2-8,11-13H,9-10H2,1H3,(H,29,31)(H,30,32)(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged BRAF V600E mutant (416 to 766 residues) using human full length 6His-tagged MEK1 (K97R) as substrate preincubated for ... |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50507705
(CHEMBL4436132)Show SMILES CN1CCC(COc2ccc(NC(=O)c3ccc(C)c(NC(=O)C4(CC4)c4ncnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C32H33F3N6O3/c1-19-3-4-21(15-25(19)40-30(43)31(10-11-31)27-23-7-12-36-28(23)38-18-37-27)29(42)39-22-5-6-26(24(16-22)32(33,34)35)44-17-20-8-13-41(2)14-9-20/h3-7,12,15-16,18,20H,8-11,13-14,17H2,1-2H3,(H,39,42)(H,40,43)(H,36,37,38) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of cRAF (unknown origin) |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(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
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CHEMBL
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| DrugBank
PDB
Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of BRAF (unknown origin) |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50507707
(CHEMBL4466555)Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C24H18ClF3N6O2/c1-12-2-3-13(21(35)33-14-4-5-16(25)15(9-14)24(26,27)28)8-17(12)34-22(36)23(6-7-23)19-18-20(31-10-29-18)32-11-30-19/h2-5,8-11H,6-7H2,1H3,(H,33,35)(H,34,36)(H,29,30,31,32) | 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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human PDGFRbeta using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50096279
(CHEMBL3577124)Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
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CHEMBL
MCE
PC cid
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Similars
| PDB
Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of desthiobiotin-ATP acylphosphate probe binding to B-Raf in human A375 cells by MS analysis |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50507704
(CHEMBL4586402)Show SMILES CN1CCC(CC1)Oc1ccc(NC(=O)c2ccc(C)c(NC(=O)C3(CC3)c3ncnc4[nH]ccc34)c2)cc1C(F)(F)F Show InChI InChI=1S/C31H31F3N6O3/c1-18-3-4-19(15-24(18)39-29(42)30(10-11-30)26-22-7-12-35-27(22)37-17-36-26)28(41)38-20-5-6-25(23(16-20)31(32,33)34)43-21-8-13-40(2)14-9-21/h3-7,12,15-17,21H,8-11,13-14H2,1-2H3,(H,38,41)(H,39,42)(H,35,36,37) | 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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of cRAF (unknown origin) |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
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
MMDB
NCI pathway
Reactome pathway
KEGG
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DrugBank
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| DrugBank
PDB
Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged BRAF V600E mutant (416 to 766 residues) using human full length 6His-tagged MEK1 (K97R) as substrate preincubated for ... |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50507708
(CHEMBL4538140)Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]ccc12)C(=O)Nc1ccccc1 Show InChI InChI=1S/C24H21N5O2/c1-15-7-8-16(22(30)28-17-5-3-2-4-6-17)13-19(15)29-23(31)24(10-11-24)20-18-9-12-25-21(18)27-14-26-20/h2-9,12-14H,10-11H2,1H3,(H,28,30)(H,29,31)(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged BRAF V600E mutant (416 to 766 residues) using human full length 6His-tagged MEK1 (K97R) as substrate preincubated for ... |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50507716
(CHEMBL4473290)Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2ccc(C)c(NC(=O)C3(CC3)c3ncnc4[nH]ccc34)c2)cc1C(F)(F)F Show InChI InChI=1S/C30H30F3N7O2/c1-18-3-4-19(15-23(18)38-28(42)29(8-9-29)25-21-7-10-34-26(21)36-17-35-25)27(41)37-20-5-6-24(22(16-20)30(31,32)33)40-13-11-39(2)12-14-40/h3-7,10,15-17H,8-9,11-14H2,1-2H3,(H,37,41)(H,38,42)(H,34,35,36) | 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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged BRAF V600E mutant (416 to 766 residues) using human full length 6His-tagged MEK1 (K97R) as substrate preincubated for ... |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase A-Raf
(Homo sapiens (Human)) | BDBM50507705
(CHEMBL4436132)Show SMILES CN1CCC(COc2ccc(NC(=O)c3ccc(C)c(NC(=O)C4(CC4)c4ncnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C32H33F3N6O3/c1-19-3-4-21(15-25(19)40-30(43)31(10-11-31)27-23-7-12-36-28(23)38-18-37-27)29(42)39-22-5-6-26(24(16-22)32(33,34)35)44-17-20-8-13-41(2)14-9-20/h3-7,12,15-16,18,20H,8-11,13-14,17H2,1-2H3,(H,39,42)(H,40,43)(H,36,37,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of ARaf (unknown origin) |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(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
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B.MOAD
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CHEMBL
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| DrugBank
PDB
Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged BRAF V600E mutant (416 to 766 residues) using human full length 6His-tagged MEK1 (K97R) as substrate preincubated for ... |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Fibroblast growth factor receptor 2
(Homo sapiens (Human)) | BDBM50507707
(CHEMBL4466555)Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C24H18ClF3N6O2/c1-12-2-3-13(21(35)33-14-4-5-16(25)15(9-14)24(26,27)28)8-17(12)34-22(36)23(6-7-23)19-18-20(31-10-29-18)32-11-30-19/h2-5,8-11H,6-7H2,1H3,(H,33,35)(H,34,36)(H,29,30,31,32) | 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 | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human FGFR2 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50507705
(CHEMBL4436132)Show SMILES CN1CCC(COc2ccc(NC(=O)c3ccc(C)c(NC(=O)C4(CC4)c4ncnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C32H33F3N6O3/c1-19-3-4-21(15-25(19)40-30(43)31(10-11-31)27-23-7-12-36-28(23)38-18-37-27)29(42)39-22-5-6-26(24(16-22)32(33,34)35)44-17-20-8-13-41(2)14-9-20/h3-7,12,15-16,18,20H,8-11,13-14,17H2,1-2H3,(H,39,42)(H,40,43)(H,36,37,38) | 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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of BRAF (unknown origin) |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50507707
(CHEMBL4466555)Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C24H18ClF3N6O2/c1-12-2-3-13(21(35)33-14-4-5-16(25)15(9-14)24(26,27)28)8-17(12)34-22(36)23(6-7-23)19-18-20(31-10-29-18)32-11-30-19/h2-5,8-11H,6-7H2,1H3,(H,33,35)(H,34,36)(H,29,30,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human LCK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50096279
(CHEMBL3577124)Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of desthiobiotin-ATP acylphosphate probe binding to C-Raf in human A375 cells by MS analysis |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50507704
(CHEMBL4586402)Show SMILES CN1CCC(CC1)Oc1ccc(NC(=O)c2ccc(C)c(NC(=O)C3(CC3)c3ncnc4[nH]ccc34)c2)cc1C(F)(F)F Show InChI InChI=1S/C31H31F3N6O3/c1-18-3-4-19(15-24(18)39-29(42)30(10-11-30)26-22-7-12-35-27(22)37-17-36-26)28(41)38-20-5-6-25(23(16-20)31(32,33)34)43-21-8-13-40(2)14-9-21/h3-7,12,15-17,21H,8-11,13-14H2,1-2H3,(H,38,41)(H,39,42)(H,35,36,37) | 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 | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of BRAF (unknown origin) |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase A-Raf
(Homo sapiens (Human)) | BDBM50096279
(CHEMBL3577124)Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+ | PDB
UniProtKB/SwissProt
antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
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Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of desthiobiotin-ATP acylphosphate probe binding to A-Raf in human A375 cells by MS analysis |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50507706
(CHEMBL4518466)Show SMILES CN1CCC(COc2ccc(NC(=O)c3ccc(C)c(NC(=O)C(C)(C)c4ncnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C32H35F3N6O3/c1-19-5-6-21(15-25(19)40-30(43)31(2,3)27-23-9-12-36-28(23)38-18-37-27)29(42)39-22-7-8-26(24(16-22)32(33,34)35)44-17-20-10-13-41(4)14-11-20/h5-9,12,15-16,18,20H,10-11,13-14,17H2,1-4H3,(H,39,42)(H,40,43)(H,36,37,38) | 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 | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged BRAF V600E mutant (416 to 766 residues) using human full length 6His-tagged MEK1 (K97R) as substrate preincubated for ... |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase A-Raf
(Homo sapiens (Human)) | BDBM50507704
(CHEMBL4586402)Show SMILES CN1CCC(CC1)Oc1ccc(NC(=O)c2ccc(C)c(NC(=O)C3(CC3)c3ncnc4[nH]ccc34)c2)cc1C(F)(F)F Show InChI InChI=1S/C31H31F3N6O3/c1-18-3-4-19(15-24(18)39-29(42)30(10-11-30)26-22-7-12-35-27(22)37-17-36-26)28(41)38-20-5-6-25(23(16-20)31(32,33)34)43-21-8-13-40(2)14-9-21/h3-7,12,15-17,21H,8-11,13-14H2,1-2H3,(H,38,41)(H,39,42)(H,35,36,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of ARaf (unknown origin) |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
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