Found 139 hits of kd data for polymerid = 7874 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM12621
(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)Show SMILES COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N Show InChI InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24) | PDB
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| Article
PubMed
| n/a | n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM24654
(4-N-(2,6-dichlorobenzene)-3-N-(piperidin-4-yl)-1H-...)Show SMILES Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1 Show InChI InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24) | PDB
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| n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM5931
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22) | PDB
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| n/a | n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM5931
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22) | PDB
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| n/a | n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM5931
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22) | PDB
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| n/a | n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2222S5F |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM50312990
((R,S)-3-(3-(2,3-dihydroxypropylamino)phenyl)-4-(5-...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cccc(NCC(O)CO)c2)c2cc(F)ccc12 |t:4| Show InChI InChI=1S/C22H20FN3O4/c1-26-10-17(16-8-13(23)5-6-18(16)26)20-19(21(29)25-22(20)30)12-3-2-4-14(7-12)24-9-15(28)11-27/h2-8,10,15,24,27-28H,9,11H2,1H3,(H,25,29,30) | PDB
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| n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of PCTK1 |
Bioorg Med Chem Lett 20: 1693-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.038
BindingDB Entry DOI: 10.7270/Q2ZK5HNS |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM50026612
(BIBF-1120 | Nintedanib | US10981896, Compound Nint...)Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28- | PDB
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| n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM6866
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) | PDB
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| n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2222S5F |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM6866
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) | PDB
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| n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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| n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM31096
(CHEMBL290084 | Staurosporine | cid_451705)Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1 | PDB
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| n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2222S5F |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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| n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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| n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Average Binding Constant for PCTK1; NA=Not Active at 10 uM |
Nat Biotechnol 23: 329-36 (2005)
Article DOI: 10.1038/nbt1068
BindingDB Entry DOI: 10.7270/Q2V69J3T |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM50308060
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1 | PDB
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| n/a | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity to PCTK1 |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM50308060
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1 | PDB
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| n/a | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
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| n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of PCTK1 |
Proc Natl Acad Sci USA 104: 19936-41 (2007)
Article DOI: 10.1073/pnas.0707498104
BindingDB Entry DOI: 10.7270/Q24X58QS |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
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| n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Average Binding Constant for PCTK1; NA=Not Active at 10 uM |
Nat Biotechnol 23: 329-36 (2005)
Article DOI: 10.1038/nbt1068
BindingDB Entry DOI: 10.7270/Q2V69J3T |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
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| n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
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Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2222S5F |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
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| n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity to PCTK1 |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM50024294
(SP-600125)Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7,17H | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Average Binding Constant for PCTK1; NA=Not Active at 10 uM |
Nat Biotechnol 23: 329-36 (2005)
Article DOI: 10.1038/nbt1068
BindingDB Entry DOI: 10.7270/Q2V69J3T |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM5655
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1 | PDB
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| n/a | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Average Binding Constant for PCTK1; NA=Not Active at 10 uM |
Nat Biotechnol 23: 329-36 (2005)
Article DOI: 10.1038/nbt1068
BindingDB Entry DOI: 10.7270/Q2V69J3T |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
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Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2222S5F |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
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| n/a | n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM31085
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM31085
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37) | PDB
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Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2222S5F |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM31085
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM25118
((3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,...)Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O Show InChI InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29) | PDB
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Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2222S5F |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM25118
((3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,...)Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O Show InChI InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM25118
((3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,...)Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O Show InChI InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM31099
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S)-3-hydroxy...)Show SMILES CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12?,17-/m1/s1 | PDB
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Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2222S5F |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM5655
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1 | PDB
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| n/a | n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM5655
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1 | PDB
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| n/a | n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM482158
(BDBM50242742 | TAE684)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM50355496
(CHEMBL1908397)Show SMILES O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1 Show InChI InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+ | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM50355504
(CHEMBL1908393)Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21| Show InChI InChI=1S/C34H36F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3,5-9,12,19-22H,2,4,10-11,13-18H2,1H3,(H,38,41)(H,39,42) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM25919
(BMS-345541 | BMS345541 | CHEMBL471496 | N-(2-amino...)Show InChI InChI=1S/C14H17N5/c1-9-3-4-11-12(7-9)19-10(2)8-17-14(19)13(18-11)16-6-5-15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM31095
(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1 | PDB
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Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2222S5F |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM31095
(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1 | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM31095
(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1 | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(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
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Average Binding Constant for PCTK1; NA=Not Active at 10 uM |
Nat Biotechnol 23: 329-36 (2005)
Article DOI: 10.1038/nbt1068
BindingDB Entry DOI: 10.7270/Q2V69J3T |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM50242737
((R,Z)-5-(2,6-dichlorobenzylsulfonyl)-3-((3,5-dimet...)Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r| Show InChI InChI=1S/C32H34Cl2N4O4S/c1-19-29(35-20(2)30(19)32(40)38-14-6-7-21(38)17-37-12-3-4-13-37)16-24-23-15-22(10-11-28(23)36-31(24)39)43(41,42)18-25-26(33)8-5-9-27(25)34/h5,8-11,15-16,21,35H,3-4,6-7,12-14,17-18H2,1-2H3,(H,36,39)/b24-16-/t21-/m1/s1 | PDB
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| n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM25028
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27) | PDB
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| n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM26474
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25) | PDB
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| n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2222S5F |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM26474
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25) | PDB
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| n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM26474
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25) | PDB
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Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM15138
(5-indazolyl pyridine 11g | 5-{5-[(2S)-2-amino-3-ph...)Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r| Show InChI InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1 | PDB
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| n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 16
(Homo sapiens (Human)) | BDBM50161957
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+ | PDB
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| n/a | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for PCTK1 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
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