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Assay Detail

CHEMBL5218149

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of BRD4 BD1 (unknown origin) measured by TR-FRET assay
ChEMBL ↗
45
Total Activities
45
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Bromodomain-containing protein 4 (CHEMBL1163125) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432.
Humphreys PG, Anderson NA, Bamborough P, Baxter A, Chung CW, Cookson R, Craggs PD, Dalton T, Fournier JCL, Gordon LJ, Gray HF, Gray MW, Gregory R, Hirst DJ, Jamieson C, Jones KL, Kessedjian H, Lugo D, McGonagle G, Patel VK, Patten C, Poole DL, Prinjha RK, Ramirez-Molina C, Rioja I, Seal G, Stafford KAJ, Shah RR, Tape D, Theodoulou NH, Tomlinson L, Ukuser S, Wall ID, Wellaway N, White G.
J Med Chem (2022) 65 : 15174 -15207
PubMed 36378954 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 45 6.67 8.20

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5218813 — — 1 8.20
CHEMBL5219991 — — 1 8.00
CHEMBL5221069 — — 1 8.00
CHEMBL4438171 — — 1 7.90
CHEMBL5220494 — — 1 7.90
CHEMBL5218726 — — 1 7.80
CHEMBL5219538 — — 1 7.70
CHEMBL5220128 — — 1 7.60
CHEMBL5219919 — — 1 7.50
CHEMBL5219194 — — 1 7.50
CHEMBL5218817 — — 1 7.50
CHEMBL5218909 — — 1 7.50
CHEMBL5219602 — — 1 7.50
CHEMBL4878439 — — 1 7.40
CHEMBL5218822 — — 1 7.40
CHEMBL5220753 — — 1 7.20
CHEMBL5219077 — — 1 7.10
CHEMBL1232461 MOLIBRESIB 2.0 1 6.90
CHEMBL5195288 — — 1 6.90
CHEMBL5220623 — — 1 6.80
CHEMBL5220077 — — 1 6.80
CHEMBL5220099 — — 1 6.70
CHEMBL5220427 — — 1 6.70
CHEMBL5220532 — — 1 6.60
CHEMBL5220904 — — 1 6.60
CHEMBL5218922 — — 1 6.50
CHEMBL5219599 — — 1 6.40
CHEMBL5220501 — — 1 6.40
CHEMBL5219089 — — 1 6.40
CHEMBL5220275 — — 1 6.40

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5218813 — IC50 = 6.31 nM 8.20
CHEMBL5219991 — IC50 = 10.0 nM 8.00
CHEMBL5221069 — IC50 = 10.0 nM 8.00
CHEMBL4438171 — IC50 = 12.59 nM 7.90
CHEMBL5220494 — IC50 = 12.59 nM 7.90
CHEMBL5218726 — IC50 = 15.85 nM 7.80
CHEMBL5219538 — IC50 = 19.95 nM 7.70
CHEMBL5220128 — IC50 = 25.12 nM 7.60
CHEMBL5219602 — IC50 = 31.62 nM 7.50
CHEMBL5218909 — IC50 = 31.62 nM 7.50
CHEMBL5218817 — IC50 = 31.62 nM 7.50
CHEMBL5219194 — IC50 = 31.62 nM 7.50
CHEMBL5219919 — IC50 = 31.62 nM 7.50
CHEMBL4878439 — IC50 = 39.81 nM 7.40
CHEMBL5218822 — IC50 = 39.81 nM 7.40
CHEMBL5220753 — IC50 = 63.1 nM 7.20
CHEMBL5219077 — IC50 = 79.43 nM 7.10
CHEMBL1232461 MOLIBRESIB IC50 = 125.89 nM 6.90
CHEMBL5195288 — IC50 = 125.89 nM 6.90
CHEMBL5220623 — IC50 = 158.49 nM 6.80
CHEMBL5220077 — IC50 = 158.49 nM 6.80
CHEMBL5220427 — IC50 = 199.53 nM 6.70
CHEMBL5220099 — IC50 = 199.53 nM 6.70
CHEMBL5220532 — IC50 = 251.19 nM 6.60
CHEMBL5220904 — IC50 = 251.19 nM 6.60
CHEMBL5218922 — IC50 = 316.23 nM 6.50
CHEMBL5219599 — IC50 = 398.11 nM 6.40
CHEMBL5220501 — IC50 = 398.11 nM 6.40
CHEMBL5219089 — IC50 = 398.11 nM 6.40
CHEMBL5220275 — IC50 = 398.11 nM 6.40
CHEMBL5220993 — IC50 = 501.19 nM 6.30
CHEMBL5218824 — IC50 = 501.19 nM 6.30
CHEMBL5221107 — IC50 = 630.96 nM 6.20
CHEMBL5219494 — IC50 = 630.96 nM 6.20
CHEMBL5221111 — IC50 = 1584.89 nM 5.80
CHEMBL5218619 — IC50 = 1584.89 nM 5.80
CHEMBL5219474 — IC50 = 1995.26 nM 5.70
CHEMBL5220523 — IC50 = 3162.28 nM 5.50
CHEMBL5219401 — IC50 = 3981.07 nM 5.40
CHEMBL5219280 — IC50 = 12589.25 nM 4.90
CHEMBL5218641 — IC50 = 39810.72 nM 4.40
CHEMBL1828979 3,5-DIMETHYL-4-PHENYLISOXAZOLE IC50 = 50118.72 nM 4.30
CHEMBL5220426 — IC50 = 63095.73 nM 4.20
CHEMBL5219527 — IC50 > 50118.72 nM -
CHEMBL1399327 — IC50 = 251188.64 nM -