Found 701 hits with Last Name = 'wei' and Initial = 'yq' 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 |
|---|
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM13216
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) | PDB
MMDB
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| DrugBank
Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of human Src |
J Med Chem 58: 3957-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00270
BindingDB Entry DOI: 10.7270/Q2J38V91 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM25121
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 (unknown origin) |
Bioorg Med Chem Lett 18: 4972-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM50086441
(CHEMBL3426225 | US10266537, Compound 3)Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of human Yes |
J Med Chem 58: 3957-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00270
BindingDB Entry DOI: 10.7270/Q2J38V91 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50086441
(CHEMBL3426225 | US10266537, Compound 3)Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of human Src |
J Med Chem 58: 3957-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00270
BindingDB Entry DOI: 10.7270/Q2J38V91 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM378885
(US10266537, Compound 93)Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)| Show InChI InChI=1S/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22- | PDB
MMDB
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KEGG
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| PC cid
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| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human full length recombinant YES using poly(Glu,Tyr)4:1 as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometri... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2M90DC6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50249221
(5-((2R)-2-aminocyclohexylamino)-7-(3,5-dimethoxyph...)Show SMILES COc1cc(Nc2nc(NC3CCCC[C@H]3N)n3ncnc3c2C(N)=O)cc(OC)c1 |r| Show InChI InChI=1S/C20H26N8O3/c1-30-12-7-11(8-13(9-12)31-2)25-18-16(17(22)29)19-23-10-24-28(19)20(27-18)26-15-6-4-3-5-14(15)21/h7-10,14-15,25H,3-6,21H2,1-2H3,(H2,22,29)(H,26,27)/t14-,15?/m1/s1 | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Syk (unknown origin) |
Bioorg Med Chem Lett 19: 1944-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.049
BindingDB Entry DOI: 10.7270/Q2WM1D98 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50086454
(CHEMBL3425518)Show SMILES CC(C)n1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(Br)c2)c2c(N)ncnc12 Show InChI InChI=1S/C30H33BrN8O/c1-19(2)39-29-27(28(32)33-18-34-29)26(36-39)10-8-21-15-22(6-5-20(21)3)30(40)35-24-9-7-23(25(31)16-24)17-38-13-11-37(4)12-14-38/h5-7,9,15-16,18-19H,11-14,17H2,1-4H3,(H,35,40)(H2,32,33,34) | PDB
MMDB
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| Article
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of human Src |
J Med Chem 58: 3957-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00270
BindingDB Entry DOI: 10.7270/Q2J38V91 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50249222
(5-((2R)-2-aminocycloheptylamino)-7-(3,5-dimethoxyp...)Show SMILES COc1cc(Nc2nc(NC3CCCCC[C@H]3N)n3ccnc3c2C(N)=O)cc(OC)c1 |r| Show InChI InChI=1S/C22H29N7O3/c1-31-14-10-13(11-15(12-14)32-2)26-20-18(19(24)30)21-25-8-9-29(21)22(28-20)27-17-7-5-3-4-6-16(17)23/h8-12,16-17,26H,3-7,23H2,1-2H3,(H2,24,30)(H,27,28)/t16-,17?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Syk (unknown origin) |
Bioorg Med Chem Lett 19: 1944-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.049
BindingDB Entry DOI: 10.7270/Q2WM1D98 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM378885
(US10266537, Compound 93)Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)| Show InChI InChI=1S/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22- | PDB
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| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ABL (27 to end residues) using EAIYAAPFAKKK as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radio... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2M90DC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50238867
(CHEMBL4083249)Show SMILES C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccc2ocnc2c1 |r| Show InChI InChI=1S/C24H16FN5O/c1-14(15-2-6-18(25)7-3-15)30-24-19-10-16(4-8-20(19)26-12-22(24)28-29-30)17-5-9-23-21(11-17)27-13-31-23/h2-14H,1H3/t14-/m0/s1 | PDB
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| PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University and Collaborative Innovation Center for Biotherapy
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A... |
J Med Chem 60: 6337-6352 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00665
BindingDB Entry DOI: 10.7270/Q2ZW1P55 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50238867
(CHEMBL4083249)Show SMILES C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccc2ocnc2c1 |r| Show InChI InChI=1S/C24H16FN5O/c1-14(15-2-6-18(25)7-3-15)30-24-19-10-16(4-8-20(19)26-12-22(24)28-29-30)17-5-9-23-21(11-17)27-13-31-23/h2-14H,1H3/t14-/m0/s1 | PDB
MMDB
KEGG
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CHEMBL
MCE
PC cid
PC sid
PDB
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| PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University and Collaborative Innovation Center for Biotherapy
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A... |
J Med Chem 60: 6337-6352 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00665
BindingDB Entry DOI: 10.7270/Q2ZW1P55 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50086457
(CHEMBL3426217)Show SMILES CC(C)n1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C31H33F3N8O/c1-19(2)42-29-27(28(35)36-18-37-29)26(39-42)10-8-21-15-22(6-5-20(21)3)30(43)38-24-9-7-23(25(16-24)31(32,33)34)17-41-13-11-40(4)12-14-41/h5-7,9,15-16,18-19H,11-14,17H2,1-4H3,(H,38,43)(H2,35,36,37) | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of human Src |
J Med Chem 58: 3957-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00270
BindingDB Entry DOI: 10.7270/Q2J38V91 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50086451
(CHEMBL3426222)Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn(C(C)C)c4ncnc(N)c34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C32H35F3N8O/c1-5-41-12-14-42(15-13-41)18-24-8-10-25(17-26(24)32(33,34)35)39-31(44)23-7-6-21(4)22(16-23)9-11-27-28-29(36)37-19-38-30(28)43(40-27)20(2)3/h6-8,10,16-17,19-20H,5,12-15,18H2,1-4H3,(H,39,44)(H2,36,37,38) | PDB
MMDB
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of human Src |
J Med Chem 58: 3957-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00270
BindingDB Entry DOI: 10.7270/Q2J38V91 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50086455
(CHEMBL3426219)Show SMILES CC(C)n1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(Cl)c2)c2c(N)ncnc12 Show InChI InChI=1S/C30H33ClN8O/c1-19(2)39-29-27(28(32)33-18-34-29)26(36-39)10-8-21-15-22(6-5-20(21)3)30(40)35-24-9-7-23(25(31)16-24)17-38-13-11-37(4)12-14-38/h5-7,9,15-16,18-19H,11-14,17H2,1-4H3,(H,35,40)(H2,32,33,34) | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of human Src |
J Med Chem 58: 3957-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00270
BindingDB Entry DOI: 10.7270/Q2J38V91 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50249508
(5-(((2R)-2-aminocyclohexyl)methyl)-7-(3,5-dimethyl...)Show SMILES Cc1cc(C)cc(Nc2nc(CC3CCCC[C@H]3N)n3ccnc3c2C(N)=O)c1 |r| Show InChI InChI=1S/C22H28N6O/c1-13-9-14(2)11-16(10-13)26-21-19(20(24)29)22-25-7-8-28(22)18(27-21)12-15-5-3-4-6-17(15)23/h7-11,15,17,26H,3-6,12,23H2,1-2H3,(H2,24,29)/t15?,17-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Syk (unknown origin) |
Bioorg Med Chem Lett 19: 1944-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.049
BindingDB Entry DOI: 10.7270/Q2WM1D98 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM378885
(US10266537, Compound 93)Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)| Show InChI InChI=1S/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22- | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human full length recombinant Src using Cdc2 peptide as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric sc... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2M90DC6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase HCK
(Homo sapiens (Human)) | BDBM378885
(US10266537, Compound 93)Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)| Show InChI InChI=1S/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22- | PDB
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| PC cid
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human HCK (230 to 497 residues) using GGMEDIYFEFMGGKKK as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2M90DC6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM378885
(US10266537, Compound 93)Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)| Show InChI InChI=1S/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22- | PDB
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| PC cid
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ABL T315I mutant (27 to end residues) using EAIYAAPFAKKK as substrate incubated for 40 mins in presence of [gamma33P-... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2M90DC6 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50086453
(CHEMBL3426220 | US10266537, Compound 14)Show SMILES CC(C)n1nc(C#Cc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C25H21F3N6O/c1-14(2)34-23-21(22(29)30-13-31-23)20(33-34)10-9-16-11-17(8-7-15(16)3)24(35)32-19-6-4-5-18(12-19)25(26,27)28/h4-8,11-14H,1-3H3,(H,32,35)(H2,29,30,31) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of human Src |
J Med Chem 58: 3957-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00270
BindingDB Entry DOI: 10.7270/Q2J38V91 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50059889
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)Show SMILES CN[C@@H]1CC2O[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+/m1/s1 | PDB
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Reactome pathway
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| Article
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Syk (unknown origin) |
Bioorg Med Chem Lett 19: 1944-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.049
BindingDB Entry DOI: 10.7270/Q2WM1D98 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50322535
(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39) | PDB
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CHEMBL
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MCE
MMDB
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| DrugBank
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of human Src |
J Med Chem 58: 3957-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00270
BindingDB Entry DOI: 10.7270/Q2J38V91 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50249229
(5-((2R)-2-aminocyclohexylamino)-7-(3,5-dimethoxyph...)Show SMILES COc1cc(Nc2nc(NC3CCCC[C@H]3N)n3cnnc3c2C(N)=O)cc(OC)c1 |r| Show InChI InChI=1S/C20H26N8O3/c1-30-12-7-11(8-13(9-12)31-2)24-18-16(17(22)29)19-27-23-10-28(19)20(26-18)25-15-6-4-3-5-14(15)21/h7-10,14-15,24H,3-6,21H2,1-2H3,(H2,22,29)(H,25,26)/t14-,15?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Syk (unknown origin) |
Bioorg Med Chem Lett 19: 1944-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.049
BindingDB Entry DOI: 10.7270/Q2WM1D98 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM378885
(US10266537, Compound 93)Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)| Show InChI InChI=1S/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22- | PDB
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| PC cid
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human full length recombinant LYN using poly(Glu,Tyr)4:1 as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometri... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2M90DC6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL2
(Homo sapiens (Human)) | BDBM378885
(US10266537, Compound 93)Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)| Show InChI InChI=1S/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22- | PDB
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Reactome pathway
KEGG
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| PC cid
PC sid
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| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ARG (38 to end residues) using EAIYAAPFAKKK as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radio... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2M90DC6 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM378885
(US10266537, Compound 93)Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)| Show InChI InChI=1S/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22- | PDB
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| PC cid
PC sid
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| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant RET (658 to end residues) using KKKSPGEYVNIEFG as substrate incubated for 40 mins in presence of [gamma33P-ATP] by ra... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2M90DC6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50249230
(5-((1R,2S)-2-aminocyclohexylamino)-7-(3,5-dimethox...)Show SMILES COc1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)n3ncnc3c2C(N)=O)cc(OC)c1 |r| Show InChI InChI=1S/C20H26N8O3/c1-30-12-7-11(8-13(9-12)31-2)25-18-16(17(22)29)19-23-10-24-28(19)20(27-18)26-15-6-4-3-5-14(15)21/h7-10,14-15,25H,3-6,21H2,1-2H3,(H2,22,29)(H,26,27)/t14-,15+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Syk (unknown origin) |
Bioorg Med Chem Lett 19: 1944-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.049
BindingDB Entry DOI: 10.7270/Q2WM1D98 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50249539
(5-((1S,2R)-2-aminocyclohexylamino)-7-(3,5-dimethox...)Show SMILES COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ncnc3c2C(N)=O)cc(OC)c1 |r| Show InChI InChI=1S/C20H26N8O3/c1-30-12-7-11(8-13(9-12)31-2)25-18-16(17(22)29)19-23-10-24-28(19)20(27-18)26-15-6-4-3-5-14(15)21/h7-10,14-15,25H,3-6,21H2,1-2H3,(H2,22,29)(H,26,27)/t14-,15+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Syk (unknown origin) |
Bioorg Med Chem Lett 19: 1944-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.049
BindingDB Entry DOI: 10.7270/Q2WM1D98 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50399676
(CHEMBL2178352 | US9096601, 8-26)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant EGFR by radiometric kinase assay |
J Med Chem 55: 10685-99 (2012)
Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50086450
(CHEMBL3426223)Show SMILES CC(C)n1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(CCO)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C32H35F3N8O2/c1-20(2)43-30-28(29(36)37-19-38-30)27(40-43)9-7-22-16-23(5-4-21(22)3)31(45)39-25-8-6-24(26(17-25)32(33,34)35)18-42-12-10-41(11-13-42)14-15-44/h4-6,8,16-17,19-20,44H,10-15,18H2,1-3H3,(H,39,45)(H2,36,37,38) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of human Src |
J Med Chem 58: 3957-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00270
BindingDB Entry DOI: 10.7270/Q2J38V91 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50086456
(CHEMBL3426218 | US10266537, Compound 17)Show SMILES CC(C)n1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C30H34N8O/c1-20(2)38-29-27(28(31)32-19-33-29)26(35-38)12-9-23-17-24(8-5-21(23)3)30(39)34-25-10-6-22(7-11-25)18-37-15-13-36(4)14-16-37/h5-8,10-11,17,19-20H,13-16,18H2,1-4H3,(H,34,39)(H2,31,32,33) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of human Src |
J Med Chem 58: 3957-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00270
BindingDB Entry DOI: 10.7270/Q2J38V91 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50399676
(CHEMBL2178352 | US9096601, 8-26)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant EGFR by radiometric kinase assay |
J Med Chem 55: 10685-99 (2012)
Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50086586
(CHEMBL3426234 | US10266537, Compound 29)Show SMILES CCn1nc(C#Cc2cccc(c2)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C29H29F3N8O/c1-3-40-27-25(26(33)34-18-35-27)24(37-40)10-7-19-5-4-6-20(15-19)28(41)36-22-9-8-21(23(16-22)29(30,31)32)17-39-13-11-38(2)12-14-39/h4-6,8-9,15-16,18H,3,11-14,17H2,1-2H3,(H,36,41)(H2,33,34,35) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of human Src |
J Med Chem 58: 3957-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00270
BindingDB Entry DOI: 10.7270/Q2J38V91 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Fyn
(Homo sapiens (Human)) | BDBM50086441
(CHEMBL3426225 | US10266537, Compound 3)Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of human Fyn |
J Med Chem 58: 3957-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00270
BindingDB Entry DOI: 10.7270/Q2J38V91 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Fyn
(Homo sapiens (Human)) | BDBM378885
(US10266537, Compound 93)Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)| Show InChI InChI=1S/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22- | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human full length recombinant FYN using Cdc2 peptide as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric sc... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2M90DC6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase TXK
(Homo sapiens (Human)) | BDBM378885
(US10266537, Compound 93)Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)| Show InChI InChI=1S/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22- | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant TXK (256 to end residues) using GEEPLYWSFPAKKK as substrate incubated for 40 mins in presence of [gamma33P-ATP] by ra... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2M90DC6 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM50563891
(CHEMBL4793380)Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1 | PDB
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TBA
| Assay Description
Inhibition of recombinant human FLT4 (800 to end residues) using GGEEEEYFELVKKKK as substrate incubated for 40 mins in presence of [gamma-33ATP] by s... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50238882
(CHEMBL4094600)Show SMILES C[C@@H](c1ccccc1)n1nnc2cnc3ccc(cc3c12)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C23H19N5/c1-15-12-19(10-11-24-15)18-8-9-21-20(13-18)23-22(14-25-21)26-27-28(23)16(2)17-6-4-3-5-7-17/h3-14,16H,1-2H3/t16-/m0/s1 | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University and Collaborative Innovation Center for Biotherapy
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A... |
J Med Chem 60: 6337-6352 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00665
BindingDB Entry DOI: 10.7270/Q2ZW1P55 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50386751
(CHEMBL2046884)Show SMILES O=C(Nc1nnc(Sc2ncnc3cc(OCCCN4CCOCC4)ccc23)s1)Nc1cccc(c1)C#C Show InChI InChI=1S/C26H25N7O3S2/c1-2-18-5-3-6-19(15-18)29-24(34)30-25-31-32-26(38-25)37-23-21-8-7-20(16-22(21)27-17-28-23)36-12-4-9-33-10-13-35-14-11-33/h1,3,5-8,15-17H,4,9-14H2,(H2,29,30,31,34) | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of human FLT3 |
J Med Chem 55: 3852-66 (2012)
Article DOI: 10.1021/jm300042x
BindingDB Entry DOI: 10.7270/Q2M61M94 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50238882
(CHEMBL4094600)Show SMILES C[C@@H](c1ccccc1)n1nnc2cnc3ccc(cc3c12)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C23H19N5/c1-15-12-19(10-11-24-15)18-8-9-21-20(13-18)23-22(14-25-21)26-27-28(23)16(2)17-6-4-3-5-7-17/h3-14,16H,1-2H3/t16-/m0/s1 | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University and Collaborative Innovation Center for Biotherapy
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A... |
J Med Chem 60: 6337-6352 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00665
BindingDB Entry DOI: 10.7270/Q2ZW1P55 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50249231
(5-((1R,2S)-2-aminocyclohexylamino)-7-(3,5-dimethyl...)Show SMILES Cc1cc(C)cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)n3ccnc3c2C(N)=O)c1 |r| Show InChI InChI=1S/C21H27N7O/c1-12-9-13(2)11-14(10-12)25-19-17(18(23)29)20-24-7-8-28(20)21(27-19)26-16-6-4-3-5-15(16)22/h7-11,15-16,25H,3-6,22H2,1-2H3,(H2,23,29)(H,26,27)/t15-,16+/m0/s1 | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Syk (unknown origin) |
Bioorg Med Chem Lett 19: 1944-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.049
BindingDB Entry DOI: 10.7270/Q2WM1D98 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50386750
(CHEMBL2046699)Show InChI InChI=1S/C13H11N3O2S2/c1-17-10-5-8-9(6-11(10)18-2)15-7-16-12(8)20-13-14-3-4-19-13/h3-7H,1-2H3 | PDB
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| CHEMBL
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| Article
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of human FLT3 |
J Med Chem 55: 3852-66 (2012)
Article DOI: 10.1021/jm300042x
BindingDB Entry DOI: 10.7270/Q2M61M94 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50086445
(CHEMBL3426229 | US10266537, Compound 21)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn([C@H]4CCOC4)c4ncnc(N)c34)cc2C(F)(F)F)CC1 |r| Show InChI InChI=1S/C32H33F3N8O2/c1-20-3-4-22(15-21(20)6-8-27-28-29(36)37-19-38-30(28)43(40-27)25-9-14-45-18-25)31(44)39-24-7-5-23(26(16-24)32(33,34)35)17-42-12-10-41(2)11-13-42/h3-5,7,15-16,19,25H,9-14,17-18H2,1-2H3,(H,39,44)(H2,36,37,38)/t25-/m0/s1 | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of human Src |
J Med Chem 58: 3957-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00270
BindingDB Entry DOI: 10.7270/Q2J38V91 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM378885
(US10266537, Compound 93)Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)| Show InChI InChI=1S/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22- | PDB
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antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant FGFR1 (456 to 765 residues) using KKKSPGEYVNIEFG as substrate incubated for 40 mins in presence of [gamma33P-ATP] by ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2M90DC6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50249232
(5-((2R)-2-aminocyclohexylamino)-7-(3,5-dimethoxyph...)Show SMILES COc1cc(Nc2nc(NC3CCCC[C@H]3N)n3nc(nc3c2C(N)=O)-c2cccc(O)c2)cc(OC)c1 |r| Show InChI InChI=1S/C26H30N8O4/c1-37-17-11-15(12-18(13-17)38-2)29-24-21(22(28)36)25-31-23(14-6-5-7-16(35)10-14)33-34(25)26(32-24)30-20-9-4-3-8-19(20)27/h5-7,10-13,19-20,29,35H,3-4,8-9,27H2,1-2H3,(H2,28,36)(H,30,32)/t19-,20?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Syk (unknown origin) |
Bioorg Med Chem Lett 19: 1944-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.049
BindingDB Entry DOI: 10.7270/Q2WM1D98 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50086449
(CHEMBL3426224 | US10266537, Compound 8)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn(C)c4ncnc(N)c34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H29F3N8O/c1-18-4-5-20(14-19(18)7-9-24-25-26(33)34-17-35-27(25)39(3)37-24)28(41)36-22-8-6-21(23(15-22)29(30,31)32)16-40-12-10-38(2)11-13-40/h4-6,8,14-15,17H,10-13,16H2,1-3H3,(H,36,41)(H2,33,34,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of human Src |
J Med Chem 58: 3957-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00270
BindingDB Entry DOI: 10.7270/Q2J38V91 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50238893
(CHEMBL4096379)Show SMILES Cc1cc(ccn1)-c1ccc2ncc3nnn(Cc4ccc(F)cc4)c3c2c1 Show InChI InChI=1S/C22H16FN5/c1-14-10-17(8-9-24-14)16-4-7-20-19(11-16)22-21(12-25-20)26-27-28(22)13-15-2-5-18(23)6-3-15/h2-12H,13H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University and Collaborative Innovation Center for Biotherapy
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A... |
J Med Chem 60: 6337-6352 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00665
BindingDB Entry DOI: 10.7270/Q2ZW1P55 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50238893
(CHEMBL4096379)Show SMILES Cc1cc(ccn1)-c1ccc2ncc3nnn(Cc4ccc(F)cc4)c3c2c1 Show InChI InChI=1S/C22H16FN5/c1-14-10-17(8-9-24-14)16-4-7-20-19(11-16)22-21(12-25-20)26-27-28(22)13-15-2-5-18(23)6-3-15/h2-12H,13H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University and Collaborative Innovation Center for Biotherapy
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A... |
J Med Chem 60: 6337-6352 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00665
BindingDB Entry DOI: 10.7270/Q2ZW1P55 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50086444
(CHEMBL3426230 | US10266537, Compound 20)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn([C@@H]4CCOC4)c4ncnc(N)c34)cc2C(F)(F)F)CC1 |r| Show InChI InChI=1S/C32H33F3N8O2/c1-20-3-4-22(15-21(20)6-8-27-28-29(36)37-19-38-30(28)43(40-27)25-9-14-45-18-25)31(44)39-24-7-5-23(26(16-24)32(33,34)35)17-42-12-10-41(2)11-13-42/h3-5,7,15-16,19,25H,9-14,17-18H2,1-2H3,(H,39,44)(H2,36,37,38)/t25-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of human Src |
J Med Chem 58: 3957-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00270
BindingDB Entry DOI: 10.7270/Q2J38V91 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM448308
(MI-23)Show SMILES Fc1cc(F)cc(CCC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)c1 |r| Show InChI InChI=1S/C24H29F2N3O4/c25-17-8-14(9-18(26)11-17)4-5-21(31)29-12-16-2-1-3-20(16)22(29)24(33)28-19(13-30)10-15-6-7-27-23(15)32/h8-9,11,13,15-16,19-20,22H,1-7,10,12H2,(H,27,32)(H,28,33)/t15-,16-,19-,20+,22+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
| Assay Description
The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th... |
Science (2021)
Article DOI: 10.1126/science.abf1611
BindingDB Entry DOI: 10.7270/Q24B34C1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM448306
(MI-21)Show SMILES Fc1cccc(CCC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)c1 |r| Show InChI InChI=1S/C24H30FN3O4/c25-18-5-1-3-15(11-18)7-8-21(30)28-13-17-4-2-6-20(17)22(28)24(32)27-19(14-29)12-16-9-10-26-23(16)31/h1,3,5,11,14,16-17,19-20,22H,2,4,6-10,12-13H2,(H,26,31)(H,27,32)/t16-,17-,19-,20+,22+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
| Assay Description
The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th... |
Science (2021)
Article DOI: 10.1126/science.abf1611
BindingDB Entry DOI: 10.7270/Q24B34C1 |
More data for this
Ligand-Target Pair | |
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