PH-797804 - Small Molecule (ID:10439-101)
| HMS LINCS ID: |
10439-101
|
| Name: | PH-797804 |
| Alternative Names: | |
| LINCS ID: | LSM-36373 |
| PubChem CID: | 22049997 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 476.05 |
| InChi: | InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28) |
| InChi Key: | KCAJXIDMCNPGHZ-UHFFFAOYSA-N |
| SMILES: | CC1=C(C=C(C=C1)C(=O)NC)N2C(=CC(=C(C2=O)Br)OCC3=C(C=C(C=C3)F)F)C |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2016-04-04 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
MAPK11, MAPK14 | |
3 (equivalent to 1µM ≤ Kd < 10 µM) | MAPK12, ROCK2 |
10 (confirmed non-binding) |
Datasets:
| HMS Dataset ID | Dataset Title | HMS Dataset Type |
|---|---|---|
| 20000 | Target Affinity Spectrum (TAS) vectors for compounds in the HMS LINCS small molecule library. | Analysis |
| 20234 | Synovial Fibroblast 3.1: Secretion response of seven primary human synovial fibroblast samples from healthy and rheumatoid arthritis donors to a panel of 3 stimuli and 5 small molecule inhibitors (replicate 1 of 2) | Bead-based immunoassay |
| 20235 | Synovial Fibroblast 3.2: Secretion response of seven primary human synovial fibroblast samples from healthy and rheumatoid arthritis-diagnosed donors to a panel of 3 stimuli and 5 small molecule inhibitors (replicate 2 of 2) | Bead-based immunoassay |
Batch Information:
| HMS LINCS Batch ID | Provider | Provider Batch ID |
|---|---|---|
| 10439-101-1 | MedChem Express | 05015 |
| 10439-101-2 | Selleck Chemicals |
(Kd <100 nM)