I-BET - Small Molecule (ID:10330-101)

HMS LINCS ID: 10330-101
Name: I-BET
Alternative Names: GSK 525762A
LINCS ID: LSM-6334
PubChem CID: 46943432
ChEBI ID:
ChEMBL ID:
Molecular Mass: 423.15
InChi: InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
InChi Key: AAAQFGUYHFJNHI-SFHVURJKSA-N
SMILES: CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)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
1
(Kd <100 nM)
BRD2, BRD3, BRD4
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
20272
Viability and apoptosis measured by imaging in BRAF(V600E/D) melanoma cell lines following treatment with combinations of two compounds (viability/apoptosis dataset 1 of 2)
 Microscopy/Imaging
20273
Viability and apoptosis measured by imaging in BRAF(V600E/D) melanoma cell lines following treatment with combinations of three compounds (viability/apoptosis dataset 2 of 2)
 Microscopy/Imaging
20276
Protein levels measured by imaging in BRAF(V600E/D) melanoma cell lines following treatment with Vemurafenib in combination with chromatin-targeting compounds (immunofluorescence dataset 3 of 4)
 Microscopy/Imaging
20277
Phosphorylation state and protein levels measured by imaging in BRAF(V600E/D) melanoma cell lines following treatment with combinations of two compounds (immunofluorescence dataset 4 of 4)
 Microscopy/Imaging

Batch Information:

HMS LINCS Batch ID Provider Provider Batch ID
10330-101-1 Haoyuan chemexpress HM-279_12A-20130322