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Compile Data Set for Download or QSAR

Found 12 hits of ic50 for UniProtKB: P50750   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-K/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM525738
PNG
(US11174252, Compound 33)
Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)C2CCN(C)CC2)ncc1F
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
CDK9 (cyclin K): IC50 values of compounds against CDK9 (cyclin K) were determined by LanthaScreen™ Eu Kinase Binding Assay at Invitrogen Life Te...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27D2Z99
More data for this
Ligand-Target Pair
Cyclin-K/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM525743
PNG
(US11174252, Compound 38)
Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)N2CCC(CC2)N(C)C)ncc1F
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
CDK9 (cyclin K): IC50 values of compounds against CDK9 (cyclin K) were determined by LanthaScreen™ Eu Kinase Binding Assay at Invitrogen Life Te...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27D2Z99
More data for this
Ligand-Target Pair
Cyclin-K/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM525729
PNG
(US11174252, Compound 24)
Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(C3CCN(C)CC3)c(F)c2)ncc1F
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
CDK9 (cyclin K): IC50 values of compounds against CDK9 (cyclin K) were determined by LanthaScreen™ Eu Kinase Binding Assay at Invitrogen Life Te...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27D2Z99
More data for this
Ligand-Target Pair
Cyclin-K/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM525750
PNG
(US11174252, Compound 437)
Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccn(C3CCNCC3)c(=O)c2)ncc1F
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
CDK9 (cyclin K): IC50 values of compounds against CDK9 (cyclin K) were determined by LanthaScreen™ Eu Kinase Binding Assay at Invitrogen Life Te...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27D2Z99
More data for this
Ligand-Target Pair
Cyclin-K/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM525730
PNG
(US11174252, Compound 25)
Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCC(CC3)N(C)C)c(F)c2)ncc1F
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
CDK9 (cyclin K): IC50 values of compounds against CDK9 (cyclin K) were determined by LanthaScreen™ Eu Kinase Binding Assay at Invitrogen Life Te...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27D2Z99
More data for this
Ligand-Target Pair
Cyclin-K/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
PDB

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Patents


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Article
PubMed
n/an/a 13n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin K (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measured...


J Med Chem 56: 3768-82 (2013)


Article DOI: 10.1021/jm301234k
BindingDB Entry DOI: 10.7270/Q25T3MV7
More data for this
Ligand-Target Pair
Cyclin-K/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM525755
PNG
(US11174252, Compound 442)
Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F
PDB

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n/an/a 41n/an/an/an/an/an/a


TBA

Assay Description
CDK9 (cyclin K): IC50 values of compounds against CDK9 (cyclin K) were determined by LanthaScreen™ Eu Kinase Binding Assay at Invitrogen Life Te...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27D2Z99
More data for this
Ligand-Target Pair
Cyclin-K/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM525749
PNG
(US11174252, Compound 436)
Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)ncc1F
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 73n/an/an/an/an/an/a


TBA

Assay Description
CDK9 (cyclin K): IC50 values of compounds against CDK9 (cyclin K) were determined by LanthaScreen™ Eu Kinase Binding Assay at Invitrogen Life Te...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27D2Z99
More data for this
Ligand-Target Pair
Cyclin-K/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM525760
PNG
(US11174252, Compound 447)
Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(O)CC2)ncc1F
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 243n/an/an/an/an/an/a


TBA

Assay Description
CDK9 (cyclin K): IC50 values of compounds against CDK9 (cyclin K) were determined by LanthaScreen™ Eu Kinase Binding Assay at Invitrogen Life Te...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27D2Z99
More data for this
Ligand-Target Pair
Cyclin-K/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM525759
PNG
(US11174252, Compound 446)
Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCOCC2)ncc1F
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 280n/an/an/an/an/an/a


TBA

Assay Description
CDK9 (cyclin K): IC50 values of compounds against CDK9 (cyclin K) were determined by LanthaScreen™ Eu Kinase Binding Assay at Invitrogen Life Te...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27D2Z99
More data for this
Ligand-Target Pair
Cyclin-K/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50263013
PNG
(CHEMBL4079206)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r|
Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1
PDB

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n/an/a 412n/an/an/an/an/an/a



Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin K (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay


J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Cyclin-K/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50526803
PNG
(CHEMBL4434871 | US10870651, Compound 101)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C34H38N8O3/c1-6-29(43)35-24-17-15-23(16-18-24)32(44)37-26-14-10-13-25(19-26)36-31-27-20-42(34(2,3)30(27)39-40-31)33(45)38-28(21-41(4)5)22-11-8-7-9-12-22/h6-19,28H,1,20-21H2,2-5H3,(H,35,43)(H,37,44)(H,38,45)(H2,36,39,40)/t28-/m1/s1
PDB

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n/an/a>1.00E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)


BindingDB Entry DOI: 10.7270/Q2QZ2F2T
More data for this
Ligand-Target Pair