null
SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(OC(C)C)nn3c2)c1F
InChI Key: InChIKey=QZOFILITMYVOIR-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50485106 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 |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485106
(CHEMBL2030240)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(OC(C)C)nn3c2)c1F Show InChI InChI=1S/C19H21F2N5O4S/c1-4-7-31(28,29)25-14-6-5-13(20)17(18(14)21)19(27)23-12-9-22-15-8-16(30-11(2)3)24-26(15)10-12/h5-6,8-11,25H,4,7H2,1-3H3,(H,23,27) | 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 | 149 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma, Inc.
Curated by ChEMBL
| Assay Description Inhibition of full-length B-raf V600E mutant |
Bioorg Med Chem Lett 22: 1165-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.092 BindingDB Entry DOI: 10.7270/Q2RB77GQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50485106
(CHEMBL2030240)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(OC(C)C)nn3c2)c1F Show InChI InChI=1S/C19H21F2N5O4S/c1-4-7-31(28,29)25-14-6-5-13(20)17(18(14)21)19(27)23-12-9-22-15-8-16(30-11(2)3)24-26(15)10-12/h5-6,8-11,25H,4,7H2,1-3H3,(H,23,27) | 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 | 449 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma, Inc.
Curated by ChEMBL
| Assay Description Inhibition of B-raf V600E mutant-mediated Erk phosphorylation in human Malme3 cells |
Bioorg Med Chem Lett 22: 1165-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.092 BindingDB Entry DOI: 10.7270/Q2RB77GQ |
More data for this Ligand-Target Pair | |