BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50013584   
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 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132175
PNG
(2-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)
Show SMILES CC(C)c1[nH]nc2c(NCc3ccccc3O)ncnc12
Show InChI InChI=1S/C15H17N5O/c1-9(2)12-13-14(20-19-12)15(18-8-17-13)16-7-10-5-3-4-6-11(10)21/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)(H,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 440n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132169
PNG
((3-Chloro-phenyl)-(3-isopropyl-1H-pyrazolo[4,3-d]p...)
Show SMILES CC(C)c1[nH]nc2c(Nc3cccc(Cl)c3)ncnc12
Show InChI InChI=1S/C14H14ClN5/c1-8(2)11-12-13(20-19-11)14(17-7-16-12)18-10-5-3-4-9(15)6-10/h3-8H,1-2H3,(H,19,20)(H,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 900n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132178
PNG
(5-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)
Show SMILES COc1ccc(CNc2ncnc3c([nH]nc23)C(C)C)cc1O
Show InChI InChI=1S/C16H19N5O2/c1-9(2)13-14-15(21-20-13)16(19-8-18-14)17-7-10-4-5-12(23-3)11(22)6-10/h4-6,8-9,22H,7H2,1-3H3,(H,20,21)(H,17,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132183
PNG
((3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)-pen...)
Show SMILES CCCCCNc1ncnc2c([nH]nc12)C(C)C
Show InChI InChI=1S/C13H21N5/c1-4-5-6-7-14-13-12-11(15-8-16-13)10(9(2)3)17-18-12/h8-9H,4-7H2,1-3H3,(H,17,18)(H,14,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132185
PNG
(Benzyl-(3-isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-...)
Show SMILES CC(C)c1[nH]nc2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C15H17N5/c1-10(2)12-13-14(20-19-12)15(18-9-17-13)16-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132172
PNG
(3-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)
Show SMILES CC(C)c1[nH]nc2c(NCc3cccc(O)c3)ncnc12
Show InChI InChI=1S/C15H17N5O/c1-9(2)12-13-14(20-19-12)15(18-8-17-13)16-7-10-4-3-5-11(21)6-10/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)(H,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132179
PNG
(4-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)
Show SMILES CC(C)c1[nH]nc2c(NCc3ccc(O)cc3)ncnc12
Show InChI InChI=1S/C15H17N5O/c1-9(2)12-13-14(20-19-12)15(18-8-17-13)16-7-10-3-5-11(21)6-4-10/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)(H,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132174
PNG
((3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)-(4-...)
Show SMILES COc1ccc(CNc2ncnc3c([nH]nc23)C(C)C)cc1
Show InChI InChI=1S/C16H19N5O/c1-10(2)13-14-15(21-20-13)16(19-9-18-14)17-8-11-4-6-12(22-3)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,20,21)(H,17,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132167
PNG
(CHEMBL103206 | Furan-2-ylmethyl-(3-isopropyl-1H-py...)
Show SMILES CC(C)c1[nH]nc2c(NCc3ccco3)ncnc12
Show InChI InChI=1S/C13H15N5O/c1-8(2)10-11-12(18-17-10)13(16-7-15-11)14-6-9-4-3-5-19-9/h3-5,7-8H,6H2,1-2H3,(H,17,18)(H,14,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132177
PNG
(3-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-phenol...)
Show SMILES CC(C)n1cnc2c(NCc3cccc(O)c3)ncnc12
Show InChI InChI=1S/C15H17N5O/c1-10(2)20-9-19-13-14(17-8-18-15(13)20)16-7-11-4-3-5-12(21)6-11/h3-6,8-10,21H,7H2,1-2H3,(H,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM10641
PNG
(6-(benzylamino)-9-isopropylpurine | CHEMBL85015 | ...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C15H17N5/c1-11(2)20-10-19-13-14(17-9-18-15(13)20)16-8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132176
PNG
((9-Isopropyl-9H-purin-6-yl)-(4-methoxy-benzyl)-ami...)
Show SMILES COc1ccc(CNc2ncnc3n(cnc23)C(C)C)cc1
Show InChI InChI=1S/C16H19N5O/c1-11(2)21-10-20-14-15(18-9-19-16(14)21)17-8-12-4-6-13(22-3)7-5-12/h4-7,9-11H,8H2,1-3H3,(H,17,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132171
PNG
(4-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-phenol...)
Show SMILES CC(C)n1cnc2c(NCc3ccc(O)cc3)ncnc12
Show InChI InChI=1S/C15H17N5O/c1-10(2)20-9-19-13-14(17-8-18-15(13)20)16-7-11-3-5-12(21)6-4-11/h3-6,8-10,21H,7H2,1-2H3,(H,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132170
PNG
(2-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-phenol...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3O)ncnc12
Show InChI InChI=1S/C15H17N5O/c1-10(2)20-9-19-13-14(17-8-18-15(13)20)16-7-11-5-3-4-6-12(11)21/h3-6,8-10,21H,7H2,1-2H3,(H,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132186
PNG
(5-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-2-meth...)
Show SMILES COc1ccc(CNc2ncnc3n(cnc23)C(C)C)cc1O
Show InChI InChI=1S/C16H19N5O2/c1-10(2)21-9-20-14-15(18-8-19-16(14)21)17-7-11-4-5-13(23-3)12(22)6-11/h4-6,8-10,22H,7H2,1-3H3,(H,17,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132180
PNG
((3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)-(3-...)
Show SMILES CC(C)c1[nH]nc2c(NCC=C(C)C)ncnc12 |(2.34,-7.59,;3.38,-6.46,;4.88,-6.77,;2.9,-5,;3.81,-3.74,;2.9,-2.48,;1.43,-2.97,;.09,-2.2,;.08,-.66,;1.42,.11,;1.41,1.65,;2.74,2.43,;2.74,3.97,;4.08,1.66,;-1.24,-2.97,;-1.24,-4.51,;.09,-5.28,;1.43,-4.51,)|
Show InChI InChI=1S/C13H19N5/c1-8(2)5-6-14-13-12-11(15-7-16-13)10(9(3)4)17-18-12/h5,7,9H,6H2,1-4H3,(H,17,18)(H,14,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132173
PNG
((3-Chloro-phenyl)-(9-isopropyl-9H-purin-6-yl)-amin...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)ncnc12
Show InChI InChI=1S/C14H14ClN5/c1-9(2)20-8-18-12-13(16-7-17-14(12)20)19-11-5-3-4-10(15)6-11/h3-9H,1-2H3,(H,16,17,19)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132182
PNG
((9-Isopropyl-9H-purin-6-yl)-pentyl-amine | CHEMBL9...)
Show SMILES CCCCCNc1ncnc2n(cnc12)C(C)C
Show InChI InChI=1S/C13H21N5/c1-4-5-6-7-14-12-11-13(16-8-15-12)18(9-17-11)10(2)3/h8-10H,4-7H2,1-3H3,(H,14,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM5718
PNG
(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132168
PNG
(CHEMBL103798 | Furan-2-ylmethyl-(9-isopropyl-9H-pu...)
Show SMILES CC(C)n1cnc2c(NCc3ccco3)ncnc12
Show InChI InChI=1S/C13H15N5O/c1-9(2)18-8-17-11-12(15-7-16-13(11)18)14-6-10-4-3-5-19-10/h3-5,7-9H,6H2,1-2H3,(H,14,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 9.10E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132187
PNG
((2-Bromo-benzyl)-(3-isopropyl-1H-pyrazolo[4,3-d]py...)
Show SMILES CC(C)c1[nH]nc2c(NCc3ccccc3Br)ncnc12
Show InChI InChI=1S/C15H16BrN5/c1-9(2)12-13-14(21-20-12)15(19-8-18-13)17-7-10-5-3-4-6-11(10)16/h3-6,8-9H,7H2,1-2H3,(H,20,21)(H,17,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132184
PNG
((9-Isopropyl-9H-purin-6-yl)-(3-methyl-but-2-enyl)-...)
Show SMILES [#6]-[#6](-[#6])-n1cnc2c(-[#7]-[#6]\[#6]=[#6](/[#6])-[#6])ncnc12
Show InChI InChI=1S/C13H19N5/c1-9(2)5-6-14-12-11-13(16-7-15-12)18(8-17-11)10(3)4/h5,7-8,10H,6H2,1-4H3,(H,14,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132169
PNG
((3-Chloro-phenyl)-(3-isopropyl-1H-pyrazolo[4,3-d]p...)
Show SMILES CC(C)c1[nH]nc2c(Nc3cccc(Cl)c3)ncnc12
Show InChI InChI=1S/C14H14ClN5/c1-8(2)11-12-13(20-19-11)14(17-7-16-12)18-10-5-3-4-9(15)6-10/h3-8H,1-2H3,(H,19,20)(H,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.84E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132181
PNG
((2-Bromo-benzyl)-(9-isopropyl-9H-purin-6-yl)-amine...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3Br)ncnc12
Show InChI InChI=1S/C15H16BrN5/c1-10(2)21-9-20-13-14(18-8-19-15(13)21)17-7-11-5-3-4-6-12(11)16/h3-6,8-10H,7H2,1-2H3,(H,17,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132178
PNG
(5-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)
Show SMILES COc1ccc(CNc2ncnc3c([nH]nc23)C(C)C)cc1O
Show InChI InChI=1S/C16H19N5O2/c1-9(2)13-14-15(21-20-13)16(19-8-18-14)17-7-10-4-5-12(23-3)11(22)6-10/h4-6,8-9,22H,7H2,1-3H3,(H,20,21)(H,17,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132187
PNG
((2-Bromo-benzyl)-(3-isopropyl-1H-pyrazolo[4,3-d]py...)
Show SMILES CC(C)c1[nH]nc2c(NCc3ccccc3Br)ncnc12
Show InChI InChI=1S/C15H16BrN5/c1-9(2)12-13-14(21-20-12)15(19-8-18-13)17-7-10-5-3-4-6-11(10)16/h3-6,8-9H,7H2,1-2H3,(H,20,21)(H,17,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132174
PNG
((3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)-(4-...)
Show SMILES COc1ccc(CNc2ncnc3c([nH]nc23)C(C)C)cc1
Show InChI InChI=1S/C16H19N5O/c1-10(2)13-14-15(21-20-13)16(19-9-18-14)17-8-11-4-6-12(22-3)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,20,21)(H,17,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.60E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132181
PNG
((2-Bromo-benzyl)-(9-isopropyl-9H-purin-6-yl)-amine...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3Br)ncnc12
Show InChI InChI=1S/C15H16BrN5/c1-10(2)21-9-20-13-14(18-8-19-15(13)21)17-7-11-5-3-4-6-12(11)16/h3-6,8-10H,7H2,1-2H3,(H,17,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.90E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132175
PNG
(2-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)
Show SMILES CC(C)c1[nH]nc2c(NCc3ccccc3O)ncnc12
Show InChI InChI=1S/C15H17N5O/c1-9(2)12-13-14(20-19-12)15(18-8-17-13)16-7-10-5-3-4-6-11(10)21/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)(H,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.40E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132173
PNG
((3-Chloro-phenyl)-(9-isopropyl-9H-purin-6-yl)-amin...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)ncnc12
Show InChI InChI=1S/C14H14ClN5/c1-9(2)20-8-18-12-13(16-7-17-14(12)20)19-11-5-3-4-10(15)6-11/h3-9H,1-2H3,(H,16,17,19)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.40E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132183
PNG
((3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)-pen...)
Show SMILES CCCCCNc1ncnc2c([nH]nc12)C(C)C
Show InChI InChI=1S/C13H21N5/c1-4-5-6-7-14-13-12-11(15-8-16-13)10(9(2)3)17-18-12/h8-9H,4-7H2,1-3H3,(H,17,18)(H,14,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.10E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132185
PNG
(Benzyl-(3-isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-...)
Show SMILES CC(C)c1[nH]nc2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C15H17N5/c1-10(2)12-13-14(20-19-12)15(18-9-17-13)16-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.60E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132172
PNG
(3-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)
Show SMILES CC(C)c1[nH]nc2c(NCc3cccc(O)c3)ncnc12
Show InChI InChI=1S/C15H17N5O/c1-9(2)12-13-14(20-19-12)15(18-8-17-13)16-7-10-4-3-5-11(21)6-10/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)(H,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8.80E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132186
PNG
(5-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-2-meth...)
Show SMILES COc1ccc(CNc2ncnc3n(cnc23)C(C)C)cc1O
Show InChI InChI=1S/C16H19N5O2/c1-10(2)21-9-20-14-15(18-8-19-16(14)21)17-7-11-4-5-13(23-3)12(22)6-11/h4-6,8-10,22H,7H2,1-3H3,(H,17,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.04E+5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132179
PNG
(4-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)
Show SMILES CC(C)c1[nH]nc2c(NCc3ccc(O)cc3)ncnc12
Show InChI InChI=1S/C15H17N5O/c1-9(2)12-13-14(20-19-12)15(18-8-17-13)16-7-10-3-5-11(21)6-4-10/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)(H,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.12E+5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM10641
PNG
(6-(benzylamino)-9-isopropylpurine | CHEMBL85015 | ...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C15H17N5/c1-11(2)20-10-19-13-14(17-9-18-15(13)20)16-8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.13E+5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132170
PNG
(2-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-phenol...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3O)ncnc12
Show InChI InChI=1S/C15H17N5O/c1-10(2)20-9-19-13-14(17-8-18-15(13)20)16-7-11-5-3-4-6-12(11)21/h3-6,8-10,21H,7H2,1-2H3,(H,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.25E+5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132182
PNG
((9-Isopropyl-9H-purin-6-yl)-pentyl-amine | CHEMBL9...)
Show SMILES CCCCCNc1ncnc2n(cnc12)C(C)C
Show InChI InChI=1S/C13H21N5/c1-4-5-6-7-14-12-11-13(16-8-15-12)18(9-17-11)10(2)3/h8-10H,4-7H2,1-3H3,(H,14,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.44E+5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132180
PNG
((3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)-(3-...)
Show SMILES CC(C)c1[nH]nc2c(NCC=C(C)C)ncnc12 |(2.34,-7.59,;3.38,-6.46,;4.88,-6.77,;2.9,-5,;3.81,-3.74,;2.9,-2.48,;1.43,-2.97,;.09,-2.2,;.08,-.66,;1.42,.11,;1.41,1.65,;2.74,2.43,;2.74,3.97,;4.08,1.66,;-1.24,-2.97,;-1.24,-4.51,;.09,-5.28,;1.43,-4.51,)|
Show InChI InChI=1S/C13H19N5/c1-8(2)5-6-14-13-12-11(15-7-16-13)10(9(3)4)17-18-12/h5,7,9H,6H2,1-4H3,(H,17,18)(H,14,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.52E+5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM5718
PNG
(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a 1.63E+5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132171
PNG
(4-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-phenol...)
Show SMILES CC(C)n1cnc2c(NCc3ccc(O)cc3)ncnc12
Show InChI InChI=1S/C15H17N5O/c1-10(2)20-9-19-13-14(17-8-18-15(13)20)16-7-11-3-5-12(21)6-4-11/h3-6,8-10,21H,7H2,1-2H3,(H,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.67E+5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132167
PNG
(CHEMBL103206 | Furan-2-ylmethyl-(3-isopropyl-1H-py...)
Show SMILES CC(C)c1[nH]nc2c(NCc3ccco3)ncnc12
Show InChI InChI=1S/C13H15N5O/c1-8(2)10-11-12(18-17-10)13(16-7-15-11)14-6-9-4-3-5-19-9/h3-5,7-8H,6H2,1-2H3,(H,17,18)(H,14,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.67E+5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132177
PNG
(3-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-phenol...)
Show SMILES CC(C)n1cnc2c(NCc3cccc(O)c3)ncnc12
Show InChI InChI=1S/C15H17N5O/c1-10(2)20-9-19-13-14(17-8-18-15(13)20)16-7-11-4-3-5-12(21)6-11/h3-6,8-10,21H,7H2,1-2H3,(H,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.67E+5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132168
PNG
(CHEMBL103798 | Furan-2-ylmethyl-(9-isopropyl-9H-pu...)
Show SMILES CC(C)n1cnc2c(NCc3ccco3)ncnc12
Show InChI InChI=1S/C13H15N5O/c1-9(2)18-8-17-11-12(15-7-16-13(11)18)14-6-10-4-3-5-19-10/h3-5,7-9H,6H2,1-2H3,(H,14,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.67E+5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132176
PNG
((9-Isopropyl-9H-purin-6-yl)-(4-methoxy-benzyl)-ami...)
Show SMILES COc1ccc(CNc2ncnc3n(cnc23)C(C)C)cc1
Show InChI InChI=1S/C16H19N5O/c1-11(2)21-10-20-14-15(18-9-19-16(14)21)17-8-12-4-6-13(22-3)7-5-12/h4-7,9-11H,8H2,1-3H3,(H,17,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.67E+5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50132184
PNG
((9-Isopropyl-9H-purin-6-yl)-(3-methyl-but-2-enyl)-...)
Show SMILES [#6]-[#6](-[#6])-n1cnc2c(-[#7]-[#6]\[#6]=[#6](/[#6])-[#6])ncnc12
Show InChI InChI=1S/C13H19N5/c1-9(2)5-6-14-12-11-13(16-7-15-12)18(8-17-11)10(3)4/h5,7-8,10H,6H2,1-4H3,(H,14,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.67E+5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair