Found 16 hits of ki data for polymerid = 5424 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 |
|---|
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM50376901
(CHEMBL256101 | TG-100855)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCC[N+]4([O-])CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O2/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)35-14-13-33(34)11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | PDB
MMDB
Reactome pathway
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PubMed
| 5.97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Yes by luminescence based kinase assay |
Drug Metab Dispos 35: 929-36 (2007)
Article DOI: 10.1124/dmd.106.014290
BindingDB Entry DOI: 10.7270/Q2CV4JMV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM50198782
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | PDB
MMDB
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| Article
PubMed
| 12.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Yes by luminescence based kinase assay |
Drug Metab Dispos 35: 929-36 (2007)
Article DOI: 10.1124/dmd.106.014290
BindingDB Entry DOI: 10.7270/Q2CV4JMV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM50198782
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | PDB
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| 12.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Yes kinase |
Bioorg Med Chem Lett 17: 602-8 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.006
BindingDB Entry DOI: 10.7270/Q29024MW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM50343938
(CHEMBL1778662 | rac-2-(6-hydroxy-6-methylheptan-2-...)Show SMILES CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25) | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of Yes |
Bioorg Med Chem Lett 20: 4709-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM50206819
(CHEMBL3893914)Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccc(C)nc3)n2)n[nH]1 Show InChI InChI=1S/C19H21N7O/c1-12-8-17(23-18-9-14(3)25-26-18)24-19(16(12)10-20)21-6-7-27-15-5-4-13(2)22-11-15/h4-5,8-9,11H,6-7H2,1-3H3,(H3,21,23,24,25,26) | PDB
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| 79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CXS Corporation
Curated by ChEMBL
| Assay Description
Inhibition of YES (unknown origin) |
Bioorg Med Chem Lett 26: 5860-5862 (2016)
Article DOI: 10.1016/j.bmcl.2016.11.020
BindingDB Entry DOI: 10.7270/Q2WS8W80 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM50119566
(CHEMBL3617732)Show SMILES CCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1 Show InChI InChI=1S/C20H23N7O/c1-2-4-19(28)22-14-5-3-6-15(11-14)23-20-21-10-9-17(25-20)24-18-12-16(26-27-18)13-7-8-13/h3,5-6,9-13H,2,4,7-8H2,1H3,(H,22,28)(H3,21,23,24,25,26,27) | PDB
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| Article
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| 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibition of c-Yes (unknown origin) |
ACS Med Chem Lett 6: 898-901 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | PDB
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| Article
PubMed
| 472 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of YES (unknown origin) |
Eur J Med Chem 166: 186-196 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.043
BindingDB Entry DOI: 10.7270/Q20C50BS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM50119568
(CHEMBL3617738)Show SMILES O=C(CCCCCC(=O)N1CCC[C@@H]1c1ccco1)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1 |r| Show InChI InChI=1S/C31H36N8O3/c40-29(11-2-1-3-12-30(41)39-17-5-9-25(39)26-10-6-18-42-26)33-22-7-4-8-23(19-22)34-31-32-16-15-27(36-31)35-28-20-24(37-38-28)21-13-14-21/h4,6-8,10,15-16,18-21,25H,1-3,5,9,11-14,17H2,(H,33,40)(H3,32,34,35,36,37,38)/t25-/m1/s1 | PDB
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| 610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibition of c-Yes (unknown origin) |
ACS Med Chem Lett 6: 898-901 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM50119567
(CHEMBL3617740)Show SMILES C[C@@H](NC(=O)CCCCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1)c1ccco1 |r| Show InChI InChI=1S/C29H34N8O3/c1-19(24-9-6-16-40-24)31-27(38)10-3-2-4-11-28(39)32-21-7-5-8-22(17-21)33-29-30-15-14-25(35-29)34-26-18-23(36-37-26)20-12-13-20/h5-9,14-20H,2-4,10-13H2,1H3,(H,31,38)(H,32,39)(H3,30,33,34,35,36,37)/t19-/m1/s1 | PDB
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| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibition of c-Yes (unknown origin) |
ACS Med Chem Lett 6: 898-901 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM50341519
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r| Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1 | PDB
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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of YES |
J Med Chem 54: 2341-50 (2011)
Article DOI: 10.1021/jm101499u
BindingDB Entry DOI: 10.7270/Q2KH0NPW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM50463479
(CHEMBL4249925)Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1 Show InChI InChI=1S/C19H17N5O3S2/c1-29(26,27)24-13-5-2-4-12(8-13)9-17(25)23-19-22-16(11-28-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11,24H,9H2,1H3,(H,20,21)(H,22,23,25) | PDB
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| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of YES (unknown origin) |
Bioorg Med Chem Lett 28: 2622-2626 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM50463483
(CHEMBL4245242)Show SMILES O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C26H29N5O2S/c32-24(31-26-30-23(17-34-26)22-16-29-25-21(22)7-2-10-28-25)15-19-4-1-6-20(14-19)33-13-3-5-18-8-11-27-12-9-18/h1-2,4,6-7,10,14,16-18,27H,3,5,8-9,11-13,15H2,(H,28,29)(H,30,31,32) | PDB
MMDB
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| PC cid
PC sid
PDB
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| Article
PubMed
| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of YES (unknown origin) |
Bioorg Med Chem Lett 28: 2622-2626 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM7459
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | PDB
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| Article
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| 2.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of YES (unknown origin) |
Eur J Med Chem 166: 186-196 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.043
BindingDB Entry DOI: 10.7270/Q20C50BS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM50354486
(CHEMBL411043)Show InChI InChI=1S/C20H18ClN5/c21-18(16-9-5-2-6-10-16)13-26-20-17(12-25-26)19(23-14-24-20)22-11-15-7-3-1-4-8-15/h1-10,12,14,18H,11,13H2,(H,22,23,24) | PDB
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| 3.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universit£t
Curated by ChEMBL
| Assay Description
Inhibition of YES (unknown origin) |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115238
BindingDB Entry DOI: 10.7270/Q2FN19R5 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM7462
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H | PDB
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| 6.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of YES (unknown origin) |
Eur J Med Chem 166: 186-196 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.043
BindingDB Entry DOI: 10.7270/Q20C50BS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM26658
(2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...)Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H | PDB
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| 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of YES (unknown origin) |
Eur J Med Chem 166: 186-196 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.043
BindingDB Entry DOI: 10.7270/Q20C50BS |
More data for this
Ligand-Target Pair | |
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