Found 61 hits with Last Name = 'moravcová' and Initial = 'd' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50132192
(CHEMBL102871 | N*2*-(4-Amino-cyclohexyl)-N*6*-(3-c...)Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NC3CCC(N)CC3)nc12 |(1.38,-4.56,;2.41,-3.41,;3.9,-3.73,;1.92,-1.94,;2.85,-.68,;1.92,.56,;.45,.09,;-.88,.86,;-.89,2.4,;.45,3.15,;1.77,2.4,;3.11,3.17,;3.11,4.71,;1.77,5.48,;1.76,7.02,;.43,4.68,;-2.21,.07,;-2.21,-1.47,;-3.56,-2.24,;-4.88,-1.47,;-4.88,.09,;-6.2,.86,;-7.55,.09,;-8.88,.86,;-7.55,-1.45,;-6.22,-2.22,;-.88,-2.24,;.45,-1.47,)| Show InChI InChI=1S/C20H26ClN7/c1-12(2)28-11-23-17-18(24-16-5-3-4-13(21)10-16)26-20(27-19(17)28)25-15-8-6-14(22)7-9-15/h3-5,10-12,14-15H,6-9,22H2,1-2H3,(H2,24,25,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Cyclin dependent kinase 1. |
Bioorg Med Chem Lett 13: 2993-6 (2003)
BindingDB Entry DOI: 10.7270/Q270820N |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM27216
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1 | PDB
Reactome pathway
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CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Cyclin dependent kinase 1. |
Bioorg Med Chem Lett 13: 2993-6 (2003)
BindingDB Entry DOI: 10.7270/Q270820N |
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
(2-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)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
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
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| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Cyclin dependent kinase 1. |
Bioorg Med Chem Lett 13: 2993-6 (2003)
BindingDB Entry DOI: 10.7270/Q270820N |
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
((3-Chloro-phenyl)-(3-isopropyl-1H-pyrazolo[4,3-d]p...)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/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/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
(5-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)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/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(Benzyl-(3-isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-...)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/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/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
((3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)-pen...)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/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50132172
(3-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)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/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(4-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)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/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/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
((3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)-(4-...)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/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL103206 | Furan-2-ylmethyl-(3-isopropyl-1H-py...)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/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(3-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-phenol...)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/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(6-(benzylamino)-9-isopropylpurine | CHEMBL85015 | ...)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/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/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
((9-Isopropyl-9H-purin-6-yl)-(4-methoxy-benzyl)-ami...)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/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(4-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-phenol...)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/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(2-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-phenol...)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/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(5-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-2-meth...)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/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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
((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/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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
((3-Chloro-phenyl)-(9-isopropyl-9H-purin-6-yl)-amin...)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
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UniChem
Similars
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| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50132199
(3-{[8-Chloro-2-(1-hydroxymethyl-propylamino)-9-iso...)Show SMILES CCC(CO)Nc1nc(NCc2cccc(O)c2)c2nc(Cl)n(C(C)C)c2n1 Show InChI InChI=1S/C19H25ClN6O2/c1-4-13(10-27)22-19-24-16(21-9-12-6-5-7-14(28)8-12)15-17(25-19)26(11(2)3)18(20)23-15/h5-8,11,13,27-28H,4,9-10H2,1-3H3,(H2,21,22,24,25) | PDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Cyclin dependent kinase 1. |
Bioorg Med Chem Lett 13: 2993-6 (2003)
BindingDB Entry DOI: 10.7270/Q270820N |
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
((9-Isopropyl-9H-purin-6-yl)-pentyl-amine | CHEMBL9...)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
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UniChem
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| n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)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
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PDB
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Patents
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| PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50132196
(2-(6-Benzylamino-9-isopropyl-8-methyl-9H-purin-2-y...)Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2nc(C)n(C(C)C)c2n1 Show InChI InChI=1S/C20H28N6O/c1-5-16(12-27)23-20-24-18(21-11-15-9-7-6-8-10-15)17-19(25-20)26(13(2)3)14(4)22-17/h6-10,13,16,27H,5,11-12H2,1-4H3,(H2,21,23,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Cyclin dependent kinase 1. |
Bioorg Med Chem Lett 13: 2993-6 (2003)
BindingDB Entry DOI: 10.7270/Q270820N |
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
(CHEMBL103798 | Furan-2-ylmethyl-(9-isopropyl-9H-pu...)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
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UniChem
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| n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50132197
(2-(6-Benzylamino-9-isopropyl-8-mercapto-9H-purin-2...)Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2[nH]c(=S)n(C(C)C)c2n1 Show InChI InChI=1S/C19H26N6OS/c1-4-14(11-26)21-18-23-16(20-10-13-8-6-5-7-9-13)15-17(24-18)25(12(2)3)19(27)22-15/h5-9,12,14,26H,4,10-11H2,1-3H3,(H,22,27)(H2,20,21,23,24) | PDB
Reactome pathway
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UniChem
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| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Cyclin dependent kinase 1. |
Bioorg Med Chem Lett 13: 2993-6 (2003)
BindingDB Entry DOI: 10.7270/Q270820N |
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
((2-Bromo-benzyl)-(3-isopropyl-1H-pyrazolo[4,3-d]py...)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
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PC cid
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UniChem
Similars
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| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50132193
(2-[8-Chloro-6-(3-chloro-phenylamino)-9-isopropyl-9...)Show SMILES CC(C)C(CO)Nc1nc(Nc2cccc(Cl)c2)c2nc(Cl)n(C(C)C)c2n1 Show InChI InChI=1S/C19H24Cl2N6O/c1-10(2)14(9-28)23-19-25-16(22-13-7-5-6-12(20)8-13)15-17(26-19)27(11(3)4)18(21)24-15/h5-8,10-11,14,28H,9H2,1-4H3,(H2,22,23,25,26) | PDB
Reactome pathway
KEGG
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UniChem
Similars
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| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Cyclin dependent kinase 1. |
Bioorg Med Chem Lett 13: 2993-6 (2003)
BindingDB Entry DOI: 10.7270/Q270820N |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50132198
(CHEMBL103567 | N*2*-(4-Amino-cyclohexyl)-N*6*-(3-c...)Show SMILES CC(C)n1c(C)nc2c(Nc3cccc(Cl)c3)nc(NC3CCC(N)CC3)nc12 |(3.9,-3.73,;2.41,-3.41,;1.38,-4.56,;1.92,-1.94,;2.85,-.68,;4.39,-.68,;1.92,.56,;.45,.09,;-.88,.86,;-.89,2.4,;.45,3.15,;1.77,2.4,;3.11,3.17,;3.11,4.71,;1.77,5.48,;1.76,7.02,;.43,4.68,;-2.21,.07,;-2.21,-1.47,;-3.56,-2.24,;-4.88,-1.47,;-6.22,-2.22,;-7.55,-1.45,;-7.55,.09,;-8.88,.86,;-6.2,.86,;-4.88,.09,;-.88,-2.24,;.45,-1.47,)| Show InChI InChI=1S/C21H28ClN7/c1-12(2)29-13(3)24-18-19(25-17-6-4-5-14(22)11-17)27-21(28-20(18)29)26-16-9-7-15(23)8-10-16/h4-6,11-12,15-16H,7-10,23H2,1-3H3,(H2,25,26,27,28) | PDB
Reactome pathway
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UniChem
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| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Cyclin dependent kinase 1. |
Bioorg Med Chem Lett 13: 2993-6 (2003)
BindingDB Entry DOI: 10.7270/Q270820N |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50132189
(2-(6-Benzylamino-9-isopropyl-8-nitro-9H-purin-2-yl...)Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2nc(n(C(C)C)c2n1)[N+]([O-])=O Show InChI InChI=1S/C19H25N7O3/c1-4-14(11-27)21-18-23-16(20-10-13-8-6-5-7-9-13)15-17(24-18)25(12(2)3)19(22-15)26(28)29/h5-9,12,14,27H,4,10-11H2,1-3H3,(H2,20,21,23,24) | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Cyclin dependent kinase 1. |
Bioorg Med Chem Lett 13: 2993-6 (2003)
BindingDB Entry DOI: 10.7270/Q270820N |
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
((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
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PC sid
UniChem
Similars
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| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/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
((3-Chloro-phenyl)-(3-isopropyl-1H-pyrazolo[4,3-d]p...)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
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| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.84E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50132190
(2-(6-Benzylamino-8-chloro-9-isopropyl-9H-purin-2-y...)Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2nc(Cl)n(C(C)C)c2n1 Show InChI InChI=1S/C19H25ClN6O/c1-4-14(11-27)22-19-24-16(21-10-13-8-6-5-7-9-13)15-17(25-19)26(12(2)3)18(20)23-15/h5-9,12,14,27H,4,10-11H2,1-3H3,(H2,21,22,24,25) | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Cyclin dependent kinase 1. |
Bioorg Med Chem Lett 13: 2993-6 (2003)
BindingDB Entry DOI: 10.7270/Q270820N |
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
((2-Bromo-benzyl)-(9-isopropyl-9H-purin-6-yl)-amine...)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/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(5-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)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
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/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
((2-Bromo-benzyl)-(3-isopropyl-1H-pyrazolo[4,3-d]py...)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
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/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
((3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)-(4-...)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
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.60E+4 | n/a | n/a | n/a | n/a | n/a | n/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
((2-Bromo-benzyl)-(9-isopropyl-9H-purin-6-yl)-amine...)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/a | n/a | 4.90E+4 | n/a | n/a | n/a | n/a | n/a | n/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
((3-Chloro-phenyl)-(9-isopropyl-9H-purin-6-yl)-amin...)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
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PC sid
UniChem
Similars
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| n/a | n/a | 5.40E+4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50132175
(2-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)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
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UniChem
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| n/a | n/a | 5.40E+4 | n/a | n/a | n/a | n/a | n/a | n/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
((3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)-pen...)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
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| CHEMBL
PC cid
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UniChem
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| n/a | n/a | 6.10E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50132195
(6-Benzylamino-2-(1-hydroxymethyl-propylamino)-9-is...)Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2[nH]c(=O)n(C(C)C)c2n1 Show InChI InChI=1S/C19H26N6O2/c1-4-14(11-26)21-18-23-16(20-10-13-8-6-5-7-9-13)15-17(24-18)25(12(2)3)19(27)22-15/h5-9,12,14,26H,4,10-11H2,1-3H3,(H,22,27)(H2,20,21,23,24) | PDB
Reactome pathway
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PC sid
UniChem
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| n/a | n/a | 6.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Cyclin dependent kinase 1. |
Bioorg Med Chem Lett 13: 2993-6 (2003)
BindingDB Entry DOI: 10.7270/Q270820N |
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
(Benzyl-(3-isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-...)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
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PC sid
UniChem
Similars
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| n/a | n/a | 6.60E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50132188
(2-(8-Amino-6-benzylamino-9-isopropyl-9H-purin-2-yl...)Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2nc(N)n(C(C)C)c2n1 Show InChI InChI=1S/C19H27N7O/c1-4-14(11-27)22-19-24-16(21-10-13-8-6-5-7-9-13)15-17(25-19)26(12(2)3)18(20)23-15/h5-9,12,14,27H,4,10-11H2,1-3H3,(H2,20,23)(H2,21,22,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Cyclin dependent kinase 1. |
Bioorg Med Chem Lett 13: 2993-6 (2003)
BindingDB Entry DOI: 10.7270/Q270820N |
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
(3-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)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
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PC sid
UniChem
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| n/a | n/a | 8.80E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50132191
(2-(6-Benzylamino-8-bromo-9-isopropyl-9H-purin-2-yl...)Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2nc(Br)n(C(C)C)c2n1 Show InChI InChI=1S/C19H25BrN6O/c1-4-14(11-27)22-19-24-16(21-10-13-8-6-5-7-9-13)15-17(25-19)26(12(2)3)18(20)23-15/h5-9,12,14,27H,4,10-11H2,1-3H3,(H2,21,22,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Cyclin dependent kinase 1. |
Bioorg Med Chem Lett 13: 2993-6 (2003)
BindingDB Entry DOI: 10.7270/Q270820N |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50132200
(2-(6-Benzylamino-9-isopropyl-8-propoxy-9H-purin-2-...)Show SMILES CCCOc1nc2c(NCc3ccccc3)nc(NC(CC)CO)nc2n1C(C)C Show InChI InChI=1S/C22H32N6O2/c1-5-12-30-22-25-18-19(23-13-16-10-8-7-9-11-16)26-21(24-17(6-2)14-29)27-20(18)28(22)15(3)4/h7-11,15,17,29H,5-6,12-14H2,1-4H3,(H2,23,24,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
UniChem
Similars
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Cyclin dependent kinase 1. |
Bioorg Med Chem Lett 13: 2993-6 (2003)
BindingDB Entry DOI: 10.7270/Q270820N |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50132194
(2-[6-Benzylamino-8-(3-hydroxy-propylamino)-9-isopr...)Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2nc(NCCCO)n(C(C)C)c2n1 Show InChI InChI=1S/C22H33N7O2/c1-4-17(14-31)25-21-27-19(24-13-16-9-6-5-7-10-16)18-20(28-21)29(15(2)3)22(26-18)23-11-8-12-30/h5-7,9-10,15,17,30-31H,4,8,11-14H2,1-3H3,(H,23,26)(H2,24,25,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
UniChem
Similars
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Cyclin dependent kinase 1. |
Bioorg Med Chem Lett 13: 2993-6 (2003)
BindingDB Entry DOI: 10.7270/Q270820N |
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
(5-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-2-meth...)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
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UniChem
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| n/a | n/a | 1.04E+5 | n/a | n/a | n/a | n/a | n/a | n/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
(4-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)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
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PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 1.12E+5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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