Celecoxib - Small Molecule (ID:10503-101)

HMS LINCS ID: 10503-101
Name: Celecoxib
Alternative Names: Celebrex; Celebra; Celecox; Onsenal; Solexa; SC-58635; YM-177
LINCS ID:
PubChem CID: 2662
ChEBI ID:
ChEMBL ID:
Molecular Mass: 381.08
InChi: InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
InChi Key: RZEKVGVHFLEQIL-UHFFFAOYSA-N
SMILES: CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
Relevant Citations:
Comments:
Date Publicly Available:
Most Recent Update: 2016-05-06

Target Affinity:

(see Study 20000)
Target Affinity Spectrum Value HUGO Gene Name
1
(Kd <100 nM)
CA12, CA13, CA2, CA5B, CA6, CA9, Car15, COX2, COX2, MT-CO2, Ptgs2, PTGS2, PTGS2, PTGS2
2
(equivalent to 100 nM ≤ Kd < 1µM)
CA14, CA4, CA4, CA5A, MAPK14, NCE103, NCE103, PTGS2
3
(equivalent to 1µM ≤ Kd < 10 µM)
CA7, COX1, EPHX2, Ptgs1, PTGS1, Ptgs2
10
(confirmed non-binding)
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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
20268
Growth rate-corrected (GR) dose-response metrics across a panel of 71 breast cancer cell lines treated with a library of small molecule and antibody perturbagens. Dataset 1 of 4: Relative cell counts and normalized growth rate inhibition values across technical replicates.
 Analysis
20269
Growth rate-corrected (GR) dose-response metrics across a panel of 71 breast cancer cell lines treated with a library of small molecule and antibody perturbagens. Dataset 2 of 4: Calculated dose-response metrics.
Analysis

Batch Information:

HMS LINCS Batch ID Provider Provider Batch ID
10503-101-1 LC Laboratories