BDBM25121 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide::BI 2536::CHEMBL513909::US10450297, Example 300::US8598172, 5

SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O

InChI Key InChIKey=XQVVPGYIWAGRNI-JOCHJYFZSA-N

Data  7 KI  53 IC50  458 Kd

PDB links: 16 PDB IDs match this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 25121   

TargetTranscription initiation factor TFIID subunit 1(Homo sapiens (Human))
Dana Farber Cancer Institute

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  160nMAssay Description:Displacement of biotinylated probe from human TAF1 bromodomain 2 (1522 to 1656 residues) expressed in Escherichia coli BL21 (DE3) by alphascreen assa...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Dana Farber Cancer Institute

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataKd:  24nMAssay Description:Binding affinity to human partial length BRD4 bromodomain 1 long isoform (N44 to E168 residues) expressed in bacterial expression system by competiti...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Dana Farber Cancer Institute

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  150nMAssay Description:Displacement of Bio-JQ1 from recombinant human His6 tagged BRD4 bromodomain 1 by alphascreen assayMore data for this Ligand-Target Pair
TargetTranscription initiation factor TFIID subunit 1(Homo sapiens (Human))
Dana Farber Cancer Institute

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataKd:  170nMAssay Description:Binding affinity to human partial length TAF1 bromodomain 2 (D1521 to D1656 residues) expressed in bacterial expression system by competitive phage d...More data for this Ligand-Target Pair