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Patent code US9932327

Compile Data Set for Download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM384362
PNG
(US9932327, Compound 33)
Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O
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+
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n/an/a 2n/an/an/an/an/an/a



The Council of Scientific & Industrial Research

US Patent


Assay Description
CDK-9/Cyclin T1 (5-20 mU diluted in 50 mM Tris pH 7.5, 0.1 mM EGTA, 1 mg/ml BSA, 0.1% mercaptoethanol) was assayed against a substrate peptide (YSPTS...


US Patent US9932327 (2018)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM384375
PNG
(US9932327, Compound 34)
Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(F)c(F)c(F)c(F)c1F)cc2=O
Show InChI InChI=1S/C23H18F5NO5/c1-29-5-4-10(15(33)8-29)16-13(31)7-14(32)17-12(30)6-9(34-23(16)17)2-3-11-18(24)20(26)22(28)21(27)19(11)25/h2-3,6-7,10,15,31-33H,4-5,8H2,1H3/b3-2+
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n/an/a 12n/an/an/an/an/an/a



The Council of Scientific & Industrial Research

US Patent


Assay Description
CDK-9/Cyclin T1 (5-20 mU diluted in 50 mM Tris pH 7.5, 0.1 mM EGTA, 1 mg/ml BSA, 0.1% mercaptoethanol) was assayed against a substrate peptide (YSPTS...


US Patent US9932327 (2018)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM384362
PNG
(US9932327, Compound 33)
Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O
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+
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n/an/a 16n/an/an/an/an/an/a



The Council of Scientific & Industrial Research

US Patent


Assay Description
CDK-2/cyclin A (5-20 mU diluted in 50 mM Hepes pH 7.5, 1 mM DTT, 0.02% Brij35, 100 mM NaCl) was assayed against Histone H1 in a final volume of 25.5 ...


US Patent US9932327 (2018)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM384357
PNG
(US9932327, Compound Flavopiridol)
Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3
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n/an/a 20n/an/an/an/an/an/a



The Council of Scientific & Industrial Research

US Patent


Assay Description
CDK-9/Cyclin T1 (5-20 mU diluted in 50 mM Tris pH 7.5, 0.1 mM EGTA, 1 mg/ml BSA, 0.1% mercaptoethanol) was assayed against a substrate peptide (YSPTS...


US Patent US9932327 (2018)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM384376
PNG
(US9932327, Compound 35)
Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1cccc(F)c1)cc2=O
Show InChI InChI=1S/C23H22FNO5/c1-25-8-7-16(20(29)12-25)21-18(27)11-19(28)22-17(26)10-15(30-23(21)22)6-5-13-3-2-4-14(24)9-13/h2-6,9-11,16,20,27-29H,7-8,12H2,1H3/b6-5+
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n/an/a 30n/an/an/an/an/an/a



The Council of Scientific & Industrial Research

US Patent


Assay Description
CDK-9/Cyclin T1 (5-20 mU diluted in 50 mM Tris pH 7.5, 0.1 mM EGTA, 1 mg/ml BSA, 0.1% mercaptoethanol) was assayed against a substrate peptide (YSPTS...


US Patent US9932327 (2018)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM384357
PNG
(US9932327, Compound Flavopiridol)
Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3
PDB
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n/an/a 170n/an/an/an/an/an/a



The Council of Scientific & Industrial Research

US Patent


Assay Description
CDK-2/cyclin A (5-20 mU diluted in 50 mM Hepes pH 7.5, 1 mM DTT, 0.02% Brij35, 100 mM NaCl) was assayed against Histone H1 in a final volume of 25.5 ...


US Patent US9932327 (2018)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM384376
PNG
(US9932327, Compound 35)
Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1cccc(F)c1)cc2=O
Show InChI InChI=1S/C23H22FNO5/c1-25-8-7-16(20(29)12-25)21-18(27)11-19(28)22-17(26)10-15(30-23(21)22)6-5-13-3-2-4-14(24)9-13/h2-6,9-11,16,20,27-29H,7-8,12H2,1H3/b6-5+
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n/an/a 466n/an/an/an/an/an/a



The Council of Scientific & Industrial Research

US Patent


Assay Description
CDK-2/cyclin A (5-20 mU diluted in 50 mM Hepes pH 7.5, 1 mM DTT, 0.02% Brij35, 100 mM NaCl) was assayed against Histone H1 in a final volume of 25.5 ...


US Patent US9932327 (2018)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM384315
PNG
(US9932327, Compound Rohitukine (1))
Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(C)cc2=O
Show InChI InChI=1S/C16H19NO5/c1-8-5-10(18)15-12(20)6-11(19)14(16(15)22-8)9-3-4-17(2)7-13(9)21/h5-6,9,13,19-21H,3-4,7H2,1-2H3
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n/an/a 550n/an/an/an/an/an/a



The Council of Scientific & Industrial Research

US Patent


Assay Description
CDK-9/Cyclin T1 (5-20 mU diluted in 50 mM Tris pH 7.5, 0.1 mM EGTA, 1 mg/ml BSA, 0.1% mercaptoethanol) was assayed against a substrate peptide (YSPTS...


US Patent US9932327 (2018)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM384375
PNG
(US9932327, Compound 34)
Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(F)c(F)c(F)c(F)c1F)cc2=O
Show InChI InChI=1S/C23H18F5NO5/c1-29-5-4-10(15(33)8-29)16-13(31)7-14(32)17-12(30)6-9(34-23(16)17)2-3-11-18(24)20(26)22(28)21(27)19(11)25/h2-3,6-7,10,15,31-33H,4-5,8H2,1H3/b3-2+
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n/an/a 608n/an/an/an/an/an/a



The Council of Scientific & Industrial Research

US Patent


Assay Description
CDK-2/cyclin A (5-20 mU diluted in 50 mM Hepes pH 7.5, 1 mM DTT, 0.02% Brij35, 100 mM NaCl) was assayed against Histone H1 in a final volume of 25.5 ...


US Patent US9932327 (2018)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM384315
PNG
(US9932327, Compound Rohitukine (1))
Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(C)cc2=O
Show InChI InChI=1S/C16H19NO5/c1-8-5-10(18)15-12(20)6-11(19)14(16(15)22-8)9-3-4-17(2)7-13(9)21/h5-6,9,13,19-21H,3-4,7H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Council of Scientific & Industrial Research

US Patent


Assay Description
CDK-2/cyclin A (5-20 mU diluted in 50 mM Hepes pH 7.5, 1 mM DTT, 0.02% Brij35, 100 mM NaCl) was assayed against Histone H1 in a final volume of 25.5 ...


US Patent US9932327 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%