Found 5 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50075581' 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)) | 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)) | 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)) | 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 | 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)) | 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 | |