BDBM5931 BMS-387072::CHEMBL296468::N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide::N-[5-[[[5-(1,1-Dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4-piperidinecarboxamide::cid_3025986

SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1

InChI Key InChIKey=OUSFTKFNBAZUKL-UHFFFAOYSA-N

Data  4 KI  49 IC50  806 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 5931   

TargetCyclin-dependent kinase 9(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM5931(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)
Affinity DataKi:  4nMAssay Description:Inhibition of CDK9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 9(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM5931(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)
Affinity DataKd:  76nMpH: 7.4 T: 2°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCyclin-dependent kinase 9(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM5931(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)
Affinity DataIC50:  550nMAssay Description:Inhibition of CDK9-mediated RNA pol 2 phosphorylation at ser2 in human HCT116 cells after 16 hrs by HCS assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 9(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM5931(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)
Affinity DataIC50:  4nMAssay Description:Inhibition of CDK9/Cyclin T (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 9(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM5931(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)
Affinity DataIC50:  40nMAssay Description:Inhibition of CDK9/cyclinT by IMAP florescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 9(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM5931(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)
Affinity DataIC50:  458nMAssay Description:Inhibition of CDK9 in human HCT116 cells assessed as phosphor-ser2 level of RNA polymerase 2 after 16 hrs by high content cellular assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 9(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM5931(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)
Affinity DataKd:  76nMAssay Description:Binding constant for CDK9 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 9(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM5931(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)
Affinity DataKd:  76nMAssay Description:Binding constant for full-length CDK9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 9(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM5931(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)
Affinity DataIC50:  4nMAssay Description:Inhibition of CDK9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 9(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM5931(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)
Affinity DataIC50:  4nMAssay Description:Inhibition of CDK9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 9(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM5931(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)
Affinity DataIC50:  4nMAssay Description:Inhibitory activity against Escherichia coli TEM-3 Beta-lactamaseMore data for this Ligand-Target Pair
In DepthDetails PubMed