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5 similar compounds to monomer 50423754

Compile data set for download or QSAR
Wt: 339.3
BDBM50423753
Wt: 338.4
BDBM50423759
Wt: 295.3
BDBM50423760
Wt: 339.3
BDBM50423761
Wt: 353.3
BDBM50423768

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50423753,50423759,50423760,50423761,50423768   
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-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50423753
PNG
(CHEMBL601064)
Show SMILES Cc1nc2CCc3cnc(Nc4cccc(c4)[N+]([O-])=O)nc3-c2s1
Show InChI InChI=1S/C16H13N5O2S/c1-9-18-13-6-5-10-8-17-16(20-14(10)15(13)24-9)19-11-3-2-4-12(7-11)21(22)23/h2-4,7-8H,5-6H2,1H3,(H,17,19,20)
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2n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK9/CyclinT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50423759
PNG
(CHEMBL598166)
Show SMILES CN(C)c1ccc(Nc2ncc3CCc4nc(N)sc4-c3n2)cc1
Show InChI InChI=1S/C17H18N6S/c1-23(2)12-6-4-11(5-7-12)20-17-19-9-10-3-8-13-15(14(10)22-17)24-16(18)21-13/h4-7,9H,3,8H2,1-2H3,(H2,18,21)(H,19,20,22)
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98n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK1/Cyclin B


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50423760
PNG
(CHEMBL599804)
Show SMILES Nc1nc2CCc3cnc(Nc4ccccc4)nc3-c2s1
Show InChI InChI=1S/C15H13N5S/c16-14-19-11-7-6-9-8-17-15(20-12(9)13(11)21-14)18-10-4-2-1-3-5-10/h1-5,8H,6-7H2,(H2,16,19)(H,17,18,20)
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110n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK9/CyclinT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50423761
PNG
(CHEMBL599806)
Show SMILES Cc1nc2CCc3cnc(Nc4ccc(cc4)[N+]([O-])=O)nc3-c2s1
Show InChI InChI=1S/C16H13N5O2S/c1-9-18-13-7-2-10-8-17-16(20-14(10)15(13)24-9)19-11-3-5-12(6-4-11)21(22)23/h3-6,8H,2,7H2,1H3,(H,17,19,20)
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140n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK9/CyclinT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50423759
PNG
(CHEMBL598166)
Show SMILES CN(C)c1ccc(Nc2ncc3CCc4nc(N)sc4-c3n2)cc1
Show InChI InChI=1S/C17H18N6S/c1-23(2)12-6-4-11(5-7-12)20-17-19-9-10-3-8-13-15(14(10)22-17)24-16(18)21-13/h4-7,9H,3,8H2,1-2H3,(H2,18,21)(H,19,20,22)
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160n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK9/CyclinT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50423761
PNG
(CHEMBL599806)
Show SMILES Cc1nc2CCc3cnc(Nc4ccc(cc4)[N+]([O-])=O)nc3-c2s1
Show InChI InChI=1S/C16H13N5O2S/c1-9-18-13-7-2-10-8-17-16(20-14(10)15(13)24-9)19-11-3-5-12(6-4-11)21(22)23/h3-6,8H,2,7H2,1H3,(H,17,19,20)
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310n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK1/Cyclin B


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50423753
PNG
(CHEMBL601064)
Show SMILES Cc1nc2CCc3cnc(Nc4cccc(c4)[N+]([O-])=O)nc3-c2s1
Show InChI InChI=1S/C16H13N5O2S/c1-9-18-13-6-5-10-8-17-16(20-14(10)15(13)24-9)19-11-3-2-4-12(7-11)21(22)23/h2-4,7-8H,5-6H2,1H3,(H,17,19,20)
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320n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK1/Cyclin B


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50423759
PNG
(CHEMBL598166)
Show SMILES CN(C)c1ccc(Nc2ncc3CCc4nc(N)sc4-c3n2)cc1
Show InChI InChI=1S/C17H18N6S/c1-23(2)12-6-4-11(5-7-12)20-17-19-9-10-3-8-13-15(14(10)22-17)24-16(18)21-13/h4-7,9H,3,8H2,1-2H3,(H2,18,21)(H,19,20,22)
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500n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK7/Cyclin H/MAT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50423760
PNG
(CHEMBL599804)
Show SMILES Nc1nc2CCc3cnc(Nc4ccccc4)nc3-c2s1
Show InChI InChI=1S/C15H13N5S/c16-14-19-11-7-6-9-8-17-15(20-12(9)13(11)21-14)18-10-4-2-1-3-5-10/h1-5,8H,6-7H2,(H2,16,19)(H,17,18,20)
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630n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK1/Cyclin B


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50423753
PNG
(CHEMBL601064)
Show SMILES Cc1nc2CCc3cnc(Nc4cccc(c4)[N+]([O-])=O)nc3-c2s1
Show InChI InChI=1S/C16H13N5O2S/c1-9-18-13-6-5-10-8-17-16(20-14(10)15(13)24-9)19-11-3-2-4-12(7-11)21(22)23/h2-4,7-8H,5-6H2,1H3,(H,17,19,20)
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790n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK7/Cyclin H/MAT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50423760
PNG
(CHEMBL599804)
Show SMILES Nc1nc2CCc3cnc(Nc4ccccc4)nc3-c2s1
Show InChI InChI=1S/C15H13N5S/c16-14-19-11-7-6-9-8-17-15(20-12(9)13(11)21-14)18-10-4-2-1-3-5-10/h1-5,8H,6-7H2,(H2,16,19)(H,17,18,20)
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1.20E+3n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK7/Cyclin H/MAT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50423768
PNG
(CHEMBL606176)
Show SMILES CN(c1cccc(c1)[N+]([O-])=O)c1ncc2CCc3nc(C)sc3-c2n1
Show InChI InChI=1S/C17H15N5O2S/c1-10-19-14-7-6-11-9-18-17(20-15(11)16(14)25-10)21(2)12-4-3-5-13(8-12)22(23)24/h3-5,8-9H,6-7H2,1-2H3
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1.80E+3n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK7/Cyclin H/MAT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50423768
PNG
(CHEMBL606176)
Show SMILES CN(c1cccc(c1)[N+]([O-])=O)c1ncc2CCc3nc(C)sc3-c2n1
Show InChI InChI=1S/C17H15N5O2S/c1-10-19-14-7-6-11-9-18-17(20-15(11)16(14)25-10)21(2)12-4-3-5-13(8-12)22(23)24/h3-5,8-9H,6-7H2,1-2H3
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2.70E+3n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK1/Cyclin B


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50423761
PNG
(CHEMBL599806)
Show SMILES Cc1nc2CCc3cnc(Nc4ccc(cc4)[N+]([O-])=O)nc3-c2s1
Show InChI InChI=1S/C16H13N5O2S/c1-9-18-13-7-2-10-8-17-16(20-14(10)15(13)24-9)19-11-3-5-12(6-4-11)21(22)23/h3-6,8H,2,7H2,1H3,(H,17,19,20)
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4.80E+3n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK7/Cyclin H/MAT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50423768
PNG
(CHEMBL606176)
Show SMILES CN(c1cccc(c1)[N+]([O-])=O)c1ncc2CCc3nc(C)sc3-c2n1
Show InChI InChI=1S/C17H15N5O2S/c1-10-19-14-7-6-11-9-18-17(20-15(11)16(14)25-10)21(2)12-4-3-5-13(8-12)22(23)24/h3-5,8-9H,6-7H2,1-2H3
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1.20E+4n/an/an/an/an/an/an/an/a



University of St. Andrews

Curated by ChEMBL


Assay Description
inhibition of CDK9/CyclinT1


J Med Chem 53: 2136-45 (2010)


Article DOI: 10.1021/jm901660c
BindingDB Entry DOI: 10.7270/Q2377B0R
More data for this
Ligand-Target Pair