Found 15 hits of Enzyme Inhibition Constant Data 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)) | BDBM50070088
(3-{1-[2-(2-Hydroxy-ethoxy)-ethyl]-1H-indol-3-yl}-4...)Show SMILES OCCOCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9| Show InChI InChI=1S/C24H21N3O4/c28-10-12-31-11-9-27-14-18(16-6-2-4-8-20(16)27)22-21(23(29)26-24(22)30)17-13-25-19-7-3-1-5-15(17)19/h1-8,13-14,25,28H,9-12H2,(H,26,29,30) | PDB
UniProtKB/SwissProt
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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 |
Kyushu University
Curated by ChEMBL
| Assay Description
Inhibitory concentration was determined by measuring phoshporylation of H1 histone using active human Cell division cycle 2-cyclin B complex |
Bioorg Med Chem Lett 8: 1019-22 (1999)
BindingDB Entry DOI: 10.7270/Q27W6BBN |
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)) | BDBM50070093
(3,4-bis(indol-3-yl)maleimide derivative | CHEMBL73...)Show SMILES CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CSCCOCCOCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12)NC(C)=O |t:44| Show InChI InChI=1S/C49H66N10O9S/c1-31(60)54-39(49(66)59-21-11-18-41(59)46(63)56-38(16-8-10-20-51)45(62)55-37(44(61)52-2)15-7-9-19-50)30-69-27-26-68-25-24-67-23-22-58-29-35(33-13-4-6-17-40(33)58)43-42(47(64)57-48(43)65)34-28-53-36-14-5-3-12-32(34)36/h3-6,12-14,17,28-29,37-39,41,53H,7-11,15-16,18-27,30,50-51H2,1-2H3,(H,52,61)(H,54,60)(H,55,62)(H,56,63)(H,57,64,65)/t37-,38-,39-,41-/m0/s1 | PDB
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antibodypedia
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AffyNet
| CHEMBL
PC cid
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UniChem
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| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyushu University
Curated by ChEMBL
| Assay Description
Inhibitory concentration was determined by measuring phoshporylation of H1 histone using active human Cell division cycle 2-cyclin B complex |
Bioorg Med Chem Lett 8: 1019-22 (1999)
BindingDB Entry DOI: 10.7270/Q27W6BBN |
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)) | BDBM2583
(3,4-Bis(3-indolyl)-1H-pyrrole-2,5-dione | 3,4-bis(...)Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:5| Show InChI InChI=1S/C20H13N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H,(H,23,24,25) | PDB
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| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyushu University
Curated by ChEMBL
| Assay Description
Inhibitory concentration was determined by measuring phoshporylation of H1 histone using active human Cell division cycle 2-cyclin B complex |
Bioorg Med Chem Lett 8: 1019-22 (1999)
BindingDB Entry DOI: 10.7270/Q27W6BBN |
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)) | BDBM2683
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9| Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31) | PDB
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| PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyushu University
Curated by ChEMBL
| Assay Description
Inhibitory concentration was determined by measuring phoshporylation of H1 histone using active human Cell division cycle 2-cyclin B complex |
Bioorg Med Chem Lett 8: 1019-22 (1999)
BindingDB Entry DOI: 10.7270/Q27W6BBN |
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)) | BDBM50070082
(3-[1-(3-Dimethylamino-propyl)-1H-indol-3-yl]-4-{1-...)Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cn(CCOCCO)c3ccccc23)c2ccccc12 |t:9| Show InChI InChI=1S/C29H32N4O4/c1-31(2)12-7-13-32-18-22(20-8-3-5-10-24(20)32)26-27(29(36)30-28(26)35)23-19-33(14-16-37-17-15-34)25-11-6-4-9-21(23)25/h3-6,8-11,18-19,34H,7,12-17H2,1-2H3,(H,30,35,36) | PDB
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| CHEMBL
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| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyushu University
Curated by ChEMBL
| Assay Description
Inhibitory concentration was determined by measuring phoshporylation of H1 histone using active human Cell division cycle 2-cyclin B complex |
Bioorg Med Chem Lett 8: 1019-22 (1999)
BindingDB Entry DOI: 10.7270/Q27W6BBN |
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)) | BDBM50070084
(3,4-bis(indol-3-yl)maleimide derivative | CHEMBL38...)Show SMILES CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CSCCOCCOCCOCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12)NC(C)=O |t:47| Show InChI InChI=1S/C51H70N10O10S/c1-33(62)56-41(51(68)61-21-11-18-43(61)48(65)58-40(16-8-10-20-53)47(64)57-39(46(63)54-2)15-7-9-19-52)32-72-29-28-71-27-26-70-25-24-69-23-22-60-31-37(35-13-4-6-17-42(35)60)45-44(49(66)59-50(45)67)36-30-55-38-14-5-3-12-34(36)38/h3-6,12-14,17,30-31,39-41,43,55H,7-11,15-16,18-29,32,52-53H2,1-2H3,(H,54,63)(H,56,62)(H,57,64)(H,58,65)(H,59,66,67)/t39-,40-,41-,43-/m0/s1 | PDB
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| CHEMBL
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UniChem
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| n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyushu University
Curated by ChEMBL
| Assay Description
Inhibitory concentration was determined by measuring phoshporylation of H1 histone using active human Cell division cycle 2-cyclin B complex |
Bioorg Med Chem Lett 8: 1019-22 (1999)
BindingDB Entry DOI: 10.7270/Q27W6BBN |
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)) | BDBM50070090
(3-[1-(3-Dimethylamino-propyl)-1H-indol-3-yl]-4-(1-...)Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cn(CCOCCOCCO)c3ccccc23)c2ccccc12 |t:9| Show InChI InChI=1S/C31H36N4O5/c1-33(2)12-7-13-34-20-24(22-8-3-5-10-26(22)34)28-29(31(38)32-30(28)37)25-21-35(27-11-6-4-9-23(25)27)14-16-39-18-19-40-17-15-36/h3-6,8-11,20-21,36H,7,12-19H2,1-2H3,(H,32,37,38) | PDB
UniProtKB/SwissProt
antibodypedia
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antibodypedia
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
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UniChem
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| n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyushu University
Curated by ChEMBL
| Assay Description
Inhibitory concentration was determined by measuring phoshporylation of H1 histone using active human Cell division cycle 2-cyclin B complex |
Bioorg Med Chem Lett 8: 1019-22 (1999)
BindingDB Entry DOI: 10.7270/Q27W6BBN |
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)) | BDBM50070092
(3-[1-(2-{2-[2-(2-Hydroxy-ethoxy)-ethoxy]-ethoxy}-e...)Show SMILES OCCOCCOCCOCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:15| Show InChI InChI=1S/C28H29N3O6/c32-10-12-36-14-16-37-15-13-35-11-9-31-18-22(20-6-2-4-8-24(20)31)26-25(27(33)30-28(26)34)21-17-29-23-7-3-1-5-19(21)23/h1-8,17-18,29,32H,9-16H2,(H,30,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyushu University
Curated by ChEMBL
| Assay Description
Inhibitory concentration was determined by measuring phoshporylation of H1 histone using active human Cell division cycle 2-cyclin B complex |
Bioorg Med Chem Lett 8: 1019-22 (1999)
BindingDB Entry DOI: 10.7270/Q27W6BBN |
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)) | BDBM50070087
((S)-1-{(R)-2-Acetylamino-3-[2-(2-{3-[4-(1H-indol-3...)Show SMILES CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CSCCOCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12)NC(C)=O |t:41| Show InChI InChI=1S/C47H62N10O8S/c1-29(58)52-37(47(64)57-21-11-18-39(57)44(61)54-36(16-8-10-20-49)43(60)53-35(42(59)50-2)15-7-9-19-48)28-66-25-24-65-23-22-56-27-33(31-13-4-6-17-38(31)56)41-40(45(62)55-46(41)63)32-26-51-34-14-5-3-12-30(32)34/h3-6,12-14,17,26-27,35-37,39,51H,7-11,15-16,18-25,28,48-49H2,1-2H3,(H,50,59)(H,52,58)(H,53,60)(H,54,61)(H,55,62,63)/t35-,36-,37-,39-/m0/s1 | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
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| n/a | n/a | 9.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyushu University
Curated by ChEMBL
| Assay Description
Inhibitory concentration was determined by measuring phoshporylation of H1 histone using active human Cell division cycle 2-cyclin B complex |
Bioorg Med Chem Lett 8: 1019-22 (1999)
BindingDB Entry DOI: 10.7270/Q27W6BBN |
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)) | BDBM50070086
(3,4-bis(indol-3-yl)maleimide derivative | CHEMBL43...)Show SMILES CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)C(CO)NC(=O)[C@H](CSCCOCCOCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12)NC(C)=O |t:50| Show InChI InChI=1S/C52H71N11O11S/c1-32(65)57-41(48(68)60-40(30-64)52(72)63-21-11-18-43(63)49(69)59-39(16-8-10-20-54)47(67)58-38(46(66)55-2)15-7-9-19-53)31-75-27-26-74-25-24-73-23-22-62-29-36(34-13-4-6-17-42(34)62)45-44(50(70)61-51(45)71)35-28-56-37-14-5-3-12-33(35)37/h3-6,12-14,17,28-29,38-41,43,56,64H,7-11,15-16,18-27,30-31,53-54H2,1-2H3,(H,55,66)(H,57,65)(H,58,67)(H,59,69)(H,60,68)(H,61,70,71)/t38-,39-,40?,41-,43-/m0/s1 | PDB
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| CHEMBL
PC cid
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UniChem
Similars
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| n/a | n/a | 2.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyushu University
Curated by ChEMBL
| Assay Description
Inhibitory concentration was determined by measuring phoshporylation of H1 histone using active human Cell division cycle 2-cyclin B complex |
Bioorg Med Chem Lett 8: 1019-22 (1999)
BindingDB Entry DOI: 10.7270/Q27W6BBN |
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)) | BDBM50070089
(3-(1-{2-[2-(2-Hydroxy-ethoxy)-ethoxy]-ethyl}-1H-in...)Show SMILES OCCOCCOCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:12| Show InChI InChI=1S/C26H25N3O5/c30-10-12-34-14-13-33-11-9-29-16-20(18-6-2-4-8-22(18)29)24-23(25(31)28-26(24)32)19-15-27-21-7-3-1-5-17(19)21/h1-8,15-16,27,30H,9-14H2,(H,28,31,32) | PDB
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| n/a | n/a | 2.85E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyushu University
Curated by ChEMBL
| Assay Description
Inhibitory concentration was determined by measuring phoshporylation of H1 histone using active human Cell division cycle 2-cyclin B complex |
Bioorg Med Chem Lett 8: 1019-22 (1999)
BindingDB Entry DOI: 10.7270/Q27W6BBN |
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)) | BDBM50070085
(3,4-bis(indol-3-yl)maleimide derivative | CHEMBL38...)Show SMILES CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)C(CO)NC(=O)[C@H](CSCOCCOCCOCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12)NC(C)=O |t:52| Show InChI InChI=1S/C53H73N11O12S/c1-33(66)58-42(49(69)61-41(30-65)53(73)64-21-11-18-44(64)50(70)60-40(16-8-10-20-55)48(68)59-39(47(67)56-2)15-7-9-19-54)31-77-32-76-27-26-75-25-24-74-23-22-63-29-37(35-13-4-6-17-43(35)63)46-45(51(71)62-52(46)72)36-28-57-38-14-5-3-12-34(36)38/h3-6,12-14,17,28-29,39-42,44,57,65H,7-11,15-16,18-27,30-32,54-55H2,1-2H3,(H,56,67)(H,58,66)(H,59,68)(H,60,70)(H,61,69)(H,62,71,72)/t39-,40-,41?,42-,44-/m0/s1 | PDB
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| CHEMBL
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UniChem
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| n/a | n/a | 5.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyushu University
Curated by ChEMBL
| Assay Description
Inhibitory concentration was determined by measuring phoshporylation of H1 histone using active human Cell division cycle 2-cyclin B complex |
Bioorg Med Chem Lett 8: 1019-22 (1999)
BindingDB Entry DOI: 10.7270/Q27W6BBN |
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)) | BDBM50070083
(3,4-bis(indol-3-yl)maleimide derivative | CHEMBL42...)Show SMILES CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CSCCOCCn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN(C)C)c3ccccc23)c2ccccc12)NC(C)=O |t:41| Show InChI InChI=1S/C52H73N11O8S/c1-34(64)56-41(52(70)63-26-13-21-44(63)49(67)58-40(18-10-12-23-54)48(66)57-39(47(65)55-2)17-9-11-22-53)33-72-30-29-71-28-27-62-32-38(36-16-6-8-20-43(36)62)46-45(50(68)59-51(46)69)37-31-61(25-14-24-60(3)4)42-19-7-5-15-35(37)42/h5-8,15-16,19-20,31-32,39-41,44H,9-14,17-18,21-30,33,53-54H2,1-4H3,(H,55,65)(H,56,64)(H,57,66)(H,58,67)(H,59,68,69)/t39-,40-,41-,44-/m0/s1 | PDB
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| CHEMBL
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UniChem
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| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyushu University
Curated by ChEMBL
| Assay Description
Inhibitory concentration was determined by measuring phoshporylation of H1 histone using active human Cell division cycle 2-cyclin B complex |
Bioorg Med Chem Lett 8: 1019-22 (1999)
BindingDB Entry DOI: 10.7270/Q27W6BBN |
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)) | BDBM50070094
((S)-1-((R)-2-Acetylamino-3-mercapto-propionyl)-pyr...)Show SMILES CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(C)=O Show InChI InChI=1S/C23H43N7O5S/c1-15(31)27-18(14-36)23(35)30-13-7-10-19(30)22(34)29-17(9-4-6-12-25)21(33)28-16(20(32)26-2)8-3-5-11-24/h16-19,36H,3-14,24-25H2,1-2H3,(H,26,32)(H,27,31)(H,28,33)(H,29,34)/t16-,17-,18-,19-/m0/s1 | PDB
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antibodypedia
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| CHEMBL
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| PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyushu University
Curated by ChEMBL
| Assay Description
Inhibitory concentration was determined by measuring phoshporylation of H1 histone using active human Cell division cycle 2-cyclin B complex |
Bioorg Med Chem Lett 8: 1019-22 (1999)
BindingDB Entry DOI: 10.7270/Q27W6BBN |
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)) | BDBM50070091
(3,4-bis(indol-3-yl)maleimide derivative | CHEMBL42...)Show SMILES CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CSCCOCCOCCn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN(C)C)c3ccccc23)c2ccccc12)NC(C)=O |t:44| Show InChI InChI=1S/C54H77N11O9S/c1-36(66)58-43(54(72)65-26-13-21-46(65)51(69)60-42(18-10-12-23-56)50(68)59-41(49(67)57-2)17-9-11-22-55)35-75-32-31-74-30-29-73-28-27-64-34-40(38-16-6-8-20-45(38)64)48-47(52(70)61-53(48)71)39-33-63(25-14-24-62(3)4)44-19-7-5-15-37(39)44/h5-8,15-16,19-20,33-34,41-43,46H,9-14,17-18,21-32,35,55-56H2,1-4H3,(H,57,67)(H,58,66)(H,59,68)(H,60,69)(H,61,70,71)/t41-,42-,43-,46-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyushu University
Curated by ChEMBL
| Assay Description
Inhibitory concentration was determined by measuring phoshporylation of H1 histone using active human Cell division cycle 2-cyclin B complex |
Bioorg Med Chem Lett 8: 1019-22 (1999)
BindingDB Entry DOI: 10.7270/Q27W6BBN |
More data for this
Ligand-Target Pair | |
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