null
SMILES: CCCS(=O)(=O)Nc1cccc(Nc2ccc3ncn(C)c(=O)c3c2)c1C#N
InChI Key: InChIKey=VBLJFIYCXZTIPN-UHFFFAOYSA-N
PDB links: 1 PDB ID matches this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50496946 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)) | BDBM50496946
(CHEMBL3236464)Show SMILES CCCS(=O)(=O)Nc1cccc(Nc2ccc3ncn(C)c(=O)c3c2)c1C#N Show InChI InChI=1S/C19H19N5O3S/c1-3-9-28(26,27)23-18-6-4-5-17(15(18)11-20)22-13-7-8-16-14(10-13)19(25)24(2)12-21-16/h4-8,10,12,22-23H,3,9H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 0.300 | 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 (unknown origin) |
Bioorg Med Chem Lett 24: 1923-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50496946
(CHEMBL3236464)Show SMILES CCCS(=O)(=O)Nc1cccc(Nc2ccc3ncn(C)c(=O)c3c2)c1C#N Show InChI InChI=1S/C19H19N5O3S/c1-3-9-28(26,27)23-18-6-4-5-17(15(18)11-20)22-13-7-8-16-14(10-13)19(25)24(2)12-21-16/h4-8,10,12,22-23H,3,9H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 6 | 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 in human Malme-3M cells assessed as basal ERK phosphorylation |
Bioorg Med Chem Lett 24: 1923-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |