Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50009672 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/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM7269
(3-(6-oxo-9-trifluoromethyl-5,6,7,12-tetrahydro-ind...)Show SMILES FC(F)(F)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(CCC#N)cc-34)c2c1 Show InChI InChI=1S/C20H14F3N3O/c21-20(22,23)12-4-6-16-13(9-12)14-10-18(27)25-17-5-3-11(2-1-7-24)8-15(17)19(14)26-16/h3-6,8-9,26H,1-2,10H2,(H,25,27) | PDB
UniProtKB/SwissProt
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GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Hamburg
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1-cyclin B from Starfish oocytes |
Bioorg Med Chem Lett 10: 567-9 (2000)
BindingDB Entry DOI: 10.7270/Q2Z60N98 |
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)) | BDBM7284
((2E)-3-[9-oxo-14-(trifluoromethyl)-8,18-diazatetra...)Show SMILES FC(F)(F)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(\C=C\C#N)cc-34)c2c1 Show InChI InChI=1S/C20H12F3N3O/c21-20(22,23)12-4-6-16-13(9-12)14-10-18(27)25-17-5-3-11(2-1-7-24)8-15(17)19(14)26-16/h1-6,8-9,26H,10H2,(H,25,27)/b2-1+ | PDB
UniProtKB/SwissProt
antibodypedia
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antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Hamburg
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1-cyclin B from Starfish oocytes |
Bioorg Med Chem Lett 10: 567-9 (2000)
BindingDB Entry DOI: 10.7270/Q2Z60N98 |
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)) | BDBM7279
(2-(3-hydroxy-1-propinyl)-9-trifluoromethylpaullone...)Show SMILES OCC#Cc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)C(F)(F)F)-c2c1 Show InChI InChI=1S/C20H13F3N2O2/c21-20(22,23)12-4-6-16-13(9-12)14-10-18(27)24-17-5-3-11(2-1-7-26)8-15(17)19(14)25-16/h3-6,8-9,25-26H,7,10H2,(H,24,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Hamburg
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1-cyclin B from Starfish oocytes |
Bioorg Med Chem Lett 10: 567-9 (2000)
BindingDB Entry DOI: 10.7270/Q2Z60N98 |
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)) | BDBM7295
((E)-2-(3-oxo-1-butenyl)-9-trifluoromethylpaullone ...)Show SMILES CC(=O)C=Cc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)C(F)(F)F)-c2c1 |w:4.4| Show InChI InChI=1S/C21H15F3N2O2/c1-11(27)2-3-12-4-6-18-16(8-12)20-15(10-19(28)25-18)14-9-13(21(22,23)24)5-7-17(14)26-20/h2-9,26H,10H2,1H3,(H,25,28) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Hamburg
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1-cyclin B from Starfish oocytes |
Bioorg Med Chem Lett 10: 567-9 (2000)
BindingDB Entry DOI: 10.7270/Q2Z60N98 |
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)) | BDBM7268
(14-(trifluoromethyl)-8,18-diazatetracyclo[9.7.0.0^...)Show SMILES FC(F)(F)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1 Show InChI InChI=1S/C17H11F3N2O/c18-17(19,20)9-5-6-14-11(7-9)12-8-15(23)21-13-4-2-1-3-10(13)16(12)22-14/h1-7,22H,8H2,(H,21,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Hamburg
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1-cyclin B from Starfish oocytes |
Bioorg Med Chem Lett 10: 567-9 (2000)
BindingDB Entry DOI: 10.7270/Q2Z60N98 |
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)) | BDBM7266
(14-bromo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)Show InChI InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20) | PDB
UniProtKB/SwissProt
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GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Hamburg
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1-cyclin B from Starfish oocytes |
Bioorg Med Chem Lett 10: 567-9 (2000)
BindingDB Entry DOI: 10.7270/Q2Z60N98 |
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)) | BDBM7302
(2-iodo-9-trifluoromethylpaullone | 4-iodo-14-(trif...)Show SMILES FC(F)(F)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(I)cc-34)c2c1 Show InChI InChI=1S/C17H10F3IN2O/c18-17(19,20)8-1-3-13-10(5-8)11-7-15(24)22-14-4-2-9(21)6-12(14)16(11)23-13/h1-6,23H,7H2,(H,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Hamburg
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1-cyclin B from Starfish oocytes |
Bioorg Med Chem Lett 10: 567-9 (2000)
BindingDB Entry DOI: 10.7270/Q2Z60N98 |
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)) | BDBM7299
(2-[2-(1-hydroxycyclohexyl)-ethynyl-9-trifluorometh...)Show SMILES OC1(CCCCC1)C#Cc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)C(F)(F)F)-c2c1 Show InChI InChI=1S/C25H21F3N2O2/c26-25(27,28)16-5-7-20-17(13-16)18-14-22(31)29-21-6-4-15(12-19(21)23(18)30-20)8-11-24(32)9-2-1-3-10-24/h4-7,12-13,30,32H,1-3,9-10,14H2,(H,29,31) | PDB
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Hamburg
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1-cyclin B from Starfish oocytes |
Bioorg Med Chem Lett 10: 567-9 (2000)
BindingDB Entry DOI: 10.7270/Q2Z60N98 |
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)) | BDBM7293
((E)-3-(6-oxo-9-trifluoromethyl-5,6,7,12-tetrahydro...)Show SMILES COC(=O)\C=C\c1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)C(F)(F)F)-c2c1 Show InChI InChI=1S/C21H15F3N2O3/c1-29-19(28)7-3-11-2-5-17-15(8-11)20-14(10-18(27)25-17)13-9-12(21(22,23)24)4-6-16(13)26-20/h2-9,26H,10H2,1H3,(H,25,27)/b7-3+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Hamburg
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1-cyclin B from Starfish oocytes |
Bioorg Med Chem Lett 10: 567-9 (2000)
BindingDB Entry DOI: 10.7270/Q2Z60N98 |
More data for this
Ligand-Target Pair | |
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