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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 397.5
BDBM167571

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM167571
PNG
(US9073922, 56 | US9796708, Example 56)
Show SMILES CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2ccccc2)n1
Show InChI InChI=1S/C25H27N5/c1-30-14-11-19(12-15-30)23-16-21-20(10-13-26-25(21)29-23)22-8-5-9-24(28-22)27-17-18-6-3-2-4-7-18/h2-10,13,16,19H,11-12,14-15,17H2,1H3,(H,26,29)(H,27,28)
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PC sid
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Similars

US Patent
n/an/a 15n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...


US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM167571
PNG
(US9073922, 56 | US9796708, Example 56)
Show SMILES CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2ccccc2)n1
Show InChI InChI=1S/C25H27N5/c1-30-14-11-19(12-15-30)23-16-21-20(10-13-26-25(21)29-23)22-8-5-9-24(28-22)27-17-18-6-3-2-4-7-18/h2-10,13,16,19H,11-12,14-15,17H2,1H3,(H,26,29)(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 15n/an/an/an/an/an/a



AbbVie, Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...


US Patent US9073922 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8C78
More data for this
Ligand-Target Pair