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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 438.4
BDBM167771

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))
BDBM167771
PNG
(US9073922, 261 | US9796708, Example 261)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@@H](CO)N(CC(=O)N(C)C)CC1 |t:21|
Show InChI InChI=1S/C24H27FN4O3/c1-28(2)23(31)13-29-9-7-15(10-17(29)14-30)21-12-20-18(6-8-26-24(20)27-21)19-11-16(25)4-5-22(19)32-3/h4-6,8,10-12,17,30H,7,9,13-14H2,1-3H3,(H,26,27)/t17-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 93n/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))
BDBM167771
PNG
(US9073922, 261 | US9796708, Example 261)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=C[C@@H](CO)N(CC(=O)N(C)C)CC1 |t:21|
Show InChI InChI=1S/C24H27FN4O3/c1-28(2)23(31)13-29-9-7-15(10-17(29)14-30)21-12-20-18(6-8-26-24(20)27-21)19-11-16(25)4-5-22(19)32-3/h4-6,8,10-12,17,30H,7,9,13-14H2,1-3H3,(H,26,27)/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 93n/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