Found 20 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50075576
(CHEMBL3415554)Show SMILES CCCS(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1 Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-3-27(25,26)23-10-5-13(19)15(14(20)6-10)16(24)12-8-22-17-11(12)4-9(18)7-21-17/h4-8,23H,2-3H2,1H3,(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
UMR CNRS-Universit£ d'Orl£ans 7311
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf V600E mutant (unknown origin) assessed as inhibition of phosphorylation of peptide substrate |
J Med Chem 58: 1818-31 (2015)
Article DOI: 10.1021/jm501667n
BindingDB Entry DOI: 10.7270/Q27M09N7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50075578
(CHEMBL3415553)Show SMILES CCCS(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c(F)c1 Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-7-33(31,32)29-16-9-19(25)21(20(26)10-16)22(30)18-12-28-23-17(18)8-14(11-27-23)13-3-5-15(24)6-4-13/h3-6,8-12,29H,2,7H2,1H3,(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
UMR CNRS-Universit£ d'Orl£ans 7311
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf V600E mutant (unknown origin) assessed as inhibition of phosphorylation of peptide substrate |
J Med Chem 58: 1818-31 (2015)
Article DOI: 10.1021/jm501667n
BindingDB Entry DOI: 10.7270/Q27M09N7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50075578
(CHEMBL3415553)Show SMILES CCCS(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c(F)c1 Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-7-33(31,32)29-16-9-19(25)21(20(26)10-16)22(30)18-12-28-23-17(18)8-14(11-27-23)13-3-5-15(24)6-4-13/h3-6,8-12,29H,2,7H2,1H3,(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
UMR CNRS-Universit£ d'Orl£ans 7311
Curated by ChEMBL
| Assay Description
Inhibition of wild type B-Raf (unknown origin) assessed as inhibition of phosphorylation of peptide substrate |
J Med Chem 58: 1818-31 (2015)
Article DOI: 10.1021/jm501667n
BindingDB Entry DOI: 10.7270/Q27M09N7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50075577
(CHEMBL3415556)Show SMILES CCN(C)S(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c(F)c1 Show InChI InChI=1S/C23H19ClF2N4O3S/c1-3-30(2)34(32,33)29-16-9-19(25)21(20(26)10-16)22(31)18-12-28-23-17(18)8-14(11-27-23)13-4-6-15(24)7-5-13/h4-12,29H,3H2,1-2H3,(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
UMR CNRS-Universit£ d'Orl£ans 7311
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf V600E mutant (unknown origin) assessed as inhibition of phosphorylation of peptide substrate |
J Med Chem 58: 1818-31 (2015)
Article DOI: 10.1021/jm501667n
BindingDB Entry DOI: 10.7270/Q27M09N7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50075581
(CHEMBL3415555)Show SMILES CCN(C)S(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1 Show InChI InChI=1S/C17H15ClF2N4O3S/c1-3-24(2)28(26,27)23-10-5-13(19)15(14(20)6-10)16(25)12-8-22-17-11(12)4-9(18)7-21-17/h4-8,23H,3H2,1-2H3,(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
UMR CNRS-Universit£ d'Orl£ans 7311
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf V600E mutant (unknown origin) assessed as inhibition of phosphorylation of peptide substrate |
J Med Chem 58: 1818-31 (2015)
Article DOI: 10.1021/jm501667n
BindingDB Entry DOI: 10.7270/Q27M09N7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50075576
(CHEMBL3415554)Show SMILES CCCS(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1 Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-3-27(25,26)23-10-5-13(19)15(14(20)6-10)16(24)12-8-22-17-11(12)4-9(18)7-21-17/h4-8,23H,2-3H2,1H3,(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
UMR CNRS-Universit£ d'Orl£ans 7311
Curated by ChEMBL
| Assay Description
Inhibition of wild type B-Raf (unknown origin) assessed as inhibition of phosphorylation of peptide substrate |
J Med Chem 58: 1818-31 (2015)
Article DOI: 10.1021/jm501667n
BindingDB Entry DOI: 10.7270/Q27M09N7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50075576
(CHEMBL3415554)Show SMILES CCCS(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1 Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-3-27(25,26)23-10-5-13(19)15(14(20)6-10)16(24)12-8-22-17-11(12)4-9(18)7-21-17/h4-8,23H,2-3H2,1H3,(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <800 | n/a | n/a | n/a | n/a | n/a | n/a |
UMR CNRS-Universit£ d'Orl£ans 7311
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf V600E mutant in human A375 cells assessed as phosphorylation of ERK |
J Med Chem 58: 1818-31 (2015)
Article DOI: 10.1021/jm501667n
BindingDB Entry DOI: 10.7270/Q27M09N7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50075577
(CHEMBL3415556)Show SMILES CCN(C)S(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c(F)c1 Show InChI InChI=1S/C23H19ClF2N4O3S/c1-3-30(2)34(32,33)29-16-9-19(25)21(20(26)10-16)22(31)18-12-28-23-17(18)8-14(11-27-23)13-4-6-15(24)7-5-13/h4-12,29H,3H2,1-2H3,(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UMR CNRS-Universit£ d'Orl£ans 7311
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf V600E mutant in human A375 cells assessed as phosphorylation of ERK |
J Med Chem 58: 1818-31 (2015)
Article DOI: 10.1021/jm501667n
BindingDB Entry DOI: 10.7270/Q27M09N7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50075581
(CHEMBL3415555)Show SMILES CCN(C)S(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1 Show InChI InChI=1S/C17H15ClF2N4O3S/c1-3-24(2)28(26,27)23-10-5-13(19)15(14(20)6-10)16(25)12-8-22-17-11(12)4-9(18)7-21-17/h4-8,23H,3H2,1-2H3,(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UMR CNRS-Universit£ d'Orl£ans 7311
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf V600E mutant in human A375 cells assessed as phosphorylation of ERK |
J Med Chem 58: 1818-31 (2015)
Article DOI: 10.1021/jm501667n
BindingDB Entry DOI: 10.7270/Q27M09N7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50075576
(CHEMBL3415554)Show SMILES CCCS(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1 Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-3-27(25,26)23-10-5-13(19)15(14(20)6-10)16(24)12-8-22-17-11(12)4-9(18)7-21-17/h4-8,23H,2-3H2,1H3,(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
UMR CNRS-Universit£ d'Orl£ans 7311
Curated by ChEMBL
| Assay Description
Binding affinity to wild type B-Raf (unknown origin) |
J Med Chem 58: 1818-31 (2015)
Article DOI: 10.1021/jm501667n
BindingDB Entry DOI: 10.7270/Q27M09N7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50075577
(CHEMBL3415556)Show SMILES CCN(C)S(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c(F)c1 Show InChI InChI=1S/C23H19ClF2N4O3S/c1-3-30(2)34(32,33)29-16-9-19(25)21(20(26)10-16)22(31)18-12-28-23-17(18)8-14(11-27-23)13-4-6-15(24)7-5-13/h4-12,29H,3H2,1-2H3,(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.41E+3 | n/a | n/a | n/a | n/a | n/a |
UMR CNRS-Universit£ d'Orl£ans 7311
Curated by ChEMBL
| Assay Description
Binding affinity to B-Raf V600E mutant (unknown origin) |
J Med Chem 58: 1818-31 (2015)
Article DOI: 10.1021/jm501667n
BindingDB Entry DOI: 10.7270/Q27M09N7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50075577
(CHEMBL3415556)Show SMILES CCN(C)S(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c(F)c1 Show InChI InChI=1S/C23H19ClF2N4O3S/c1-3-30(2)34(32,33)29-16-9-19(25)21(20(26)10-16)22(31)18-12-28-23-17(18)8-14(11-27-23)13-4-6-15(24)7-5-13/h4-12,29H,3H2,1-2H3,(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a |
UMR CNRS-Universit£ d'Orl£ans 7311
Curated by ChEMBL
| Assay Description
Binding affinity to wild type B-Raf (unknown origin) |
J Med Chem 58: 1818-31 (2015)
Article DOI: 10.1021/jm501667n
BindingDB Entry DOI: 10.7270/Q27M09N7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50075576
(CHEMBL3415554)Show SMILES CCCS(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1 Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-3-27(25,26)23-10-5-13(19)15(14(20)6-10)16(24)12-8-22-17-11(12)4-9(18)7-21-17/h4-8,23H,2-3H2,1H3,(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a |
UMR CNRS-Universit£ d'Orl£ans 7311
Curated by ChEMBL
| Assay Description
Binding affinity to B-Raf V600E mutant (unknown origin) |
J Med Chem 58: 1818-31 (2015)
Article DOI: 10.1021/jm501667n
BindingDB Entry DOI: 10.7270/Q27M09N7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50075581
(CHEMBL3415555)Show SMILES CCN(C)S(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1 Show InChI InChI=1S/C17H15ClF2N4O3S/c1-3-24(2)28(26,27)23-10-5-13(19)15(14(20)6-10)16(25)12-8-22-17-11(12)4-9(18)7-21-17/h4-8,23H,3H2,1-2H3,(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
UMR CNRS-Universit£ d'Orl£ans 7311
Curated by ChEMBL
| Assay Description
Activation of tumorigenic wild type B-Raf in human IPC-298 cells with Ras mutation assessed as phosphorylation of ERK |
J Med Chem 58: 1818-31 (2015)
Article DOI: 10.1021/jm501667n
BindingDB Entry DOI: 10.7270/Q27M09N7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50075581
(CHEMBL3415555)Show SMILES CCN(C)S(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1 Show InChI InChI=1S/C17H15ClF2N4O3S/c1-3-24(2)28(26,27)23-10-5-13(19)15(14(20)6-10)16(25)12-8-22-17-11(12)4-9(18)7-21-17/h4-8,23H,3H2,1-2H3,(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a |
UMR CNRS-Universit£ d'Orl£ans 7311
Curated by ChEMBL
| Assay Description
Binding affinity to wild type B-Raf (unknown origin) |
J Med Chem 58: 1818-31 (2015)
Article DOI: 10.1021/jm501667n
BindingDB Entry DOI: 10.7270/Q27M09N7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50075578
(CHEMBL3415553)Show SMILES CCCS(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c(F)c1 Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-7-33(31,32)29-16-9-19(25)21(20(26)10-16)22(30)18-12-28-23-17(18)8-14(11-27-23)13-3-5-15(24)6-4-13/h3-6,8-12,29H,2,7H2,1H3,(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a |
UMR CNRS-Universit£ d'Orl£ans 7311
Curated by ChEMBL
| Assay Description
Binding affinity to B-Raf V600E mutant (unknown origin) |
J Med Chem 58: 1818-31 (2015)
Article DOI: 10.1021/jm501667n
BindingDB Entry DOI: 10.7270/Q27M09N7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50075577
(CHEMBL3415556)Show SMILES CCN(C)S(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c(F)c1 Show InChI InChI=1S/C23H19ClF2N4O3S/c1-3-30(2)34(32,33)29-16-9-19(25)21(20(26)10-16)22(31)18-12-28-23-17(18)8-14(11-27-23)13-4-6-15(24)7-5-13/h4-12,29H,3H2,1-2H3,(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
UMR CNRS-Universit£ d'Orl£ans 7311
Curated by ChEMBL
| Assay Description
Activation of tumorigenic wild type B-Raf in human IPC-298 cells with Ras mutation assessed as phosphorylation of ERK |
J Med Chem 58: 1818-31 (2015)
Article DOI: 10.1021/jm501667n
BindingDB Entry DOI: 10.7270/Q27M09N7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50075581
(CHEMBL3415555)Show SMILES CCN(C)S(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1 Show InChI InChI=1S/C17H15ClF2N4O3S/c1-3-24(2)28(26,27)23-10-5-13(19)15(14(20)6-10)16(25)12-8-22-17-11(12)4-9(18)7-21-17/h4-8,23H,3H2,1-2H3,(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a |
UMR CNRS-Universit£ d'Orl£ans 7311
Curated by ChEMBL
| Assay Description
Binding affinity to B-Raf V600E mutant (unknown origin) |
J Med Chem 58: 1818-31 (2015)
Article DOI: 10.1021/jm501667n
BindingDB Entry DOI: 10.7270/Q27M09N7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50075578
(CHEMBL3415553)Show SMILES CCCS(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c(F)c1 Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-7-33(31,32)29-16-9-19(25)21(20(26)10-16)22(30)18-12-28-23-17(18)8-14(11-27-23)13-3-5-15(24)6-4-13/h3-6,8-12,29H,2,7H2,1H3,(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a |
UMR CNRS-Universit£ d'Orl£ans 7311
Curated by ChEMBL
| Assay Description
Binding affinity to wild type B-Raf (unknown origin) |
J Med Chem 58: 1818-31 (2015)
Article DOI: 10.1021/jm501667n
BindingDB Entry DOI: 10.7270/Q27M09N7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50075576
(CHEMBL3415554)Show SMILES CCCS(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1 Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-3-27(25,26)23-10-5-13(19)15(14(20)6-10)16(24)12-8-22-17-11(12)4-9(18)7-21-17/h4-8,23H,2-3H2,1H3,(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | <500 | n/a | n/a | n/a | n/a |
UMR CNRS-Universit£ d'Orl£ans 7311
Curated by ChEMBL
| Assay Description
Activation of tumorigenic wild type B-Raf in human IPC-298 cells with Ras mutation assessed as phosphorylation of ERK |
J Med Chem 58: 1818-31 (2015)
Article DOI: 10.1021/jm501667n
BindingDB Entry DOI: 10.7270/Q27M09N7 |
More data for this
Ligand-Target Pair | |
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