Found 332 hits with Last Name = 'hong' and Initial = 'e' 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 |
|---|
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50459208
(CHEMBL4214342)Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(nc3)N3CCN(CC3)C(C)=O)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C33H32F3N9O3/c1-20-7-8-25(39-30(47)22-5-4-6-24(15-22)33(34,35)36)16-27(20)45-19-23-17-38-31(41-29(23)42(3)32(45)48)40-26-9-10-28(37-18-26)44-13-11-43(12-14-44)21(2)46/h4-10,15-18H,11-14,19H2,1-3H3,(H,39,47)(H,38,40,41) | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50508111
(CHEMBL4520827)Show SMILES CCCCC1=NC(C)=C(CC(=S)N(C)C)CN1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4,7| Show InChI InChI=1S/C27H33N7S/c1-5-6-11-25-28-19(2)22(16-26(35)33(3)4)18-34(25)17-20-12-14-21(15-13-20)23-9-7-8-10-24(23)27-29-31-32-30-27/h7-10,12-15H,5-6,11,16-18H2,1-4H3,(H,29,30,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Boryung Pharmaceuticals Co. Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at type-1 angiotensin 2 receptor (unknown origin) by calcium mobilizing assay |
Bioorg Med Chem Lett 29: 631-637 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.043
BindingDB Entry DOI: 10.7270/Q22B929Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50459215
(CHEMBL4202685)Show SMILES CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cn1 Show InChI InChI=1S/C34H34F3N9O3/c1-4-44-12-14-45(15-13-44)31(48)27-11-10-26(19-38-27)41-32-39-18-23-20-46(33(49)43(3)29(23)42-32)28-17-25(9-8-21(28)2)40-30(47)22-6-5-7-24(16-22)34(35,36)37/h5-11,16-19H,4,12-15,20H2,1-3H3,(H,40,47)(H,39,41,42) | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50459203
(CHEMBL4207036)Show SMILES CN(C)C1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)N2Cc3cnc(Nc4ccc(C)nc4)nc3N(C)C2=O)C1 Show InChI InChI=1S/C35H38F3N9O2/c1-21-6-10-26(41-32(48)23-8-9-24(29(14-23)35(36,37)38)18-46-13-12-28(20-46)44(3)4)15-30(21)47-19-25-16-40-33(43-31(25)45(5)34(47)49)42-27-11-7-22(2)39-17-27/h6-11,14-17,28H,12-13,18-20H2,1-5H3,(H,41,48)(H,40,42,43) | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50508110
(CHEMBL4444760)Show SMILES CCCCC1=NC(C(C)C)=C(CC(=S)N2CCCC2)CN1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1 |t:4,9| Show InChI InChI=1S/C32H39N5O2S/c1-4-5-12-28-33-30(22(2)3)25(19-29(40)36-17-8-9-18-36)21-37(28)20-23-13-15-24(16-14-23)26-10-6-7-11-27(26)31-34-32(38)39-35-31/h6-7,10-11,13-16,22H,4-5,8-9,12,17-21H2,1-3H3,(H,34,35,38) | PDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Boryung Pharmaceuticals Co. Ltd.
Curated by ChEMBL
| Assay Description
Antagonist activity at type-1 angiotensin 2 receptor (unknown origin) by calcium mobilizing assay |
Bioorg Med Chem Lett 29: 631-637 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.043
BindingDB Entry DOI: 10.7270/Q22B929Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50459219
(CHEMBL4207100)Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)N2Cc3cnc(Nc4ccc(C)nc4)nc3N(C)C2=O)CC1 Show InChI InChI=1S/C34H36F3N9O2/c1-21-5-9-26(40-31(47)23-7-8-24(28(15-23)34(35,36)37)19-45-13-11-43(3)12-14-45)16-29(21)46-20-25-17-39-32(42-30(25)44(4)33(46)48)41-27-10-6-22(2)38-18-27/h5-10,15-18H,11-14,19-20H2,1-4H3,(H,40,47)(H,39,41,42) | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50459216
(CHEMBL4213673)Show SMILES CN1C(=O)N(Cc2cnc(Nc3cc(C)nn3C)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C27H25F3N8O2/c1-15-8-9-20(32-24(39)17-6-5-7-19(11-17)27(28,29)30)12-21(15)38-14-18-13-31-25(34-23(18)36(3)26(38)40)33-22-10-16(2)35-37(22)4/h5-13H,14H2,1-4H3,(H,32,39)(H,31,33,34) | MMDB
Reactome pathway
KEGG
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GoogleScholar
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| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50459203
(CHEMBL4207036)Show SMILES CN(C)C1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)N2Cc3cnc(Nc4ccc(C)nc4)nc3N(C)C2=O)C1 Show InChI InChI=1S/C35H38F3N9O2/c1-21-6-10-26(41-32(48)23-8-9-24(29(14-23)35(36,37)38)18-46-13-12-28(20-46)44(3)4)15-30(21)47-19-25-16-40-33(43-31(25)45(5)34(47)49)42-27-11-7-22(2)39-17-27/h6-11,14-17,28H,12-13,18-20H2,1-5H3,(H,41,48)(H,40,42,43) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50459201
(CHEMBL4217421)Show SMILES CN1C(=O)N(Cc2cnc(Nc3cnn(C)c3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C26H23F3N8O2/c1-15-7-8-19(32-23(38)16-5-4-6-18(9-16)26(27,28)29)10-21(15)37-13-17-11-30-24(33-20-12-31-35(2)14-20)34-22(17)36(3)25(37)39/h4-12,14H,13H2,1-3H3,(H,32,38)(H,30,33,34) | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50459211
(CHEMBL4214863)Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cn1 Show InChI InChI=1S/C33H34F3N9O2/c1-4-43-12-14-44(15-13-43)28-11-10-26(19-37-28)40-31-38-18-23-20-45(32(47)42(3)29(23)41-31)27-17-25(9-8-21(27)2)39-30(46)22-6-5-7-24(16-22)33(34,35)36/h5-11,16-19H,4,12-15,20H2,1-3H3,(H,39,46)(H,38,40,41) | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50459208
(CHEMBL4214342)Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(nc3)N3CCN(CC3)C(C)=O)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C33H32F3N9O3/c1-20-7-8-25(39-30(47)22-5-4-6-24(15-22)33(34,35)36)16-27(20)45-19-23-17-38-31(41-29(23)42(3)32(45)48)40-26-9-10-28(37-18-26)44-13-11-43(12-14-44)21(2)46/h4-10,15-18H,11-14,19H2,1-3H3,(H,39,47)(H,38,40,41) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50323777
(CHEMBL1214141 | N-(4-Methyl-3-(1-methyl-7-(6-methy...)Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C28H24F3N7O2/c1-16-7-9-21(34-25(39)18-5-4-6-20(11-18)28(29,30)31)12-23(16)38-15-19-13-33-26(36-24(19)37(3)27(38)40)35-22-10-8-17(2)32-14-22/h4-14H,15H2,1-3H3,(H,34,39)(H,33,35,36) | MMDB
Reactome pathway
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50459209
(CHEMBL4209948)Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cc1 Show InChI InChI=1S/C34H35F3N8O2/c1-4-43-14-16-44(17-15-43)28-12-10-26(11-13-28)40-32-38-20-24-21-45(33(47)42(3)30(24)41-32)29-19-27(9-8-22(29)2)39-31(46)23-6-5-7-25(18-23)34(35,36)37/h5-13,18-20H,4,14-17,21H2,1-3H3,(H,39,46)(H,38,40,41) | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50459212
(CHEMBL4207753)Show SMILES CN(C)C1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)N2Cc3cnc(Nc4cnn(C)c4)nc3N(C)C2=O)C1 Show InChI InChI=1S/C33H37F3N10O2/c1-20-6-9-24(39-30(47)21-7-8-22(27(12-21)33(34,35)36)16-45-11-10-26(19-45)42(2)3)13-28(20)46-17-23-14-37-31(40-25-15-38-43(4)18-25)41-29(23)44(5)32(46)48/h6-9,12-15,18,26H,10-11,16-17,19H2,1-5H3,(H,39,47)(H,37,40,41) | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50459216
(CHEMBL4213673)Show SMILES CN1C(=O)N(Cc2cnc(Nc3cc(C)nn3C)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C27H25F3N8O2/c1-15-8-9-20(32-24(39)17-6-5-7-19(11-17)27(28,29)30)12-21(15)38-14-18-13-31-25(34-23(18)36(3)26(38)40)33-22-10-16(2)35-37(22)4/h5-13H,14H2,1-4H3,(H,32,39)(H,31,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50459198
(CHEMBL4212150)Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2ccc(c(c2)C(F)(F)F)-n2cccc2)ccc1C Show InChI InChI=1S/C32H27F3N8O2/c1-19-6-9-23(38-29(44)21-8-11-26(42-12-4-5-13-42)25(14-21)32(33,34)35)15-27(19)43-18-22-16-37-30(40-28(22)41(3)31(43)45)39-24-10-7-20(2)36-17-24/h4-17H,18H2,1-3H3,(H,38,44)(H,37,39,40) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50459218
(CHEMBL4211976)Show SMILES CN1CCN(CC1)c1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(C)c(c1)N1Cc2cnc(Nc3ccc(C)nc3)nc2N(C)C1=O Show InChI InChI=1S/C33H34F3N9O2/c1-20-5-8-24(39-30(46)22-7-10-27(26(15-22)33(34,35)36)44-13-11-42(3)12-14-44)16-28(20)45-19-23-17-38-31(41-29(23)43(4)32(45)47)40-25-9-6-21(2)37-18-25/h5-10,15-18H,11-14,19H2,1-4H3,(H,39,46)(H,38,40,41) | MMDB
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50459207
(CHEMBL4212663)Show SMILES CN(C)C1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)N2Cc3cnc(Nc4cc(C)nn4C)nc3N(C)C2=O)C1 Show InChI InChI=1S/C34H39F3N10O2/c1-20-7-10-25(39-31(48)22-8-9-23(27(14-22)34(35,36)37)17-46-12-11-26(19-46)43(3)4)15-28(20)47-18-24-16-38-32(41-30(24)44(5)33(47)49)40-29-13-21(2)42-45(29)6/h7-10,13-16,26H,11-12,17-19H2,1-6H3,(H,39,48)(H,38,40,41) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50505841
(CHEMBL4532034 | US11174245, # I-018)Show SMILES COc1ccncc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1CC(C)(C)O Show InChI InChI=1S/C23H23N5O3/c1-23(2,30)14-28-19-7-5-4-6-17(19)26-22(28)27-21(29)15-8-11-25-18(12-15)16-13-24-10-9-20(16)31-3/h4-13,30H,14H2,1-3H3,(H,26,27,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH & Co KG
Curated by ChEMBL
| Assay Description
Inhibition of GST-fusion tagged EGFR L858R/T790M/C797S triple mutant (unknown origin) (696 to 1022 residues) expressed in insect cells assessed as de... |
J Med Chem 62: 10272-10293 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01169
BindingDB Entry DOI: 10.7270/Q2XD14ZQ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50459215
(CHEMBL4202685)Show SMILES CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cn1 Show InChI InChI=1S/C34H34F3N9O3/c1-4-44-12-14-45(15-13-44)31(48)27-11-10-26(19-38-27)41-32-39-18-23-20-46(33(49)43(3)29(23)42-32)28-17-25(9-8-21(28)2)40-30(47)22-6-5-7-24(16-22)34(35,36)37/h5-11,16-19H,4,12-15,20H2,1-3H3,(H,40,47)(H,39,41,42) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50459200
(CHEMBL4213019)Show SMILES CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c2cc(NC(=O)c3ccc(CN4CCC(C4)N(C)C)c(c3)C(F)(F)F)ccc2C)cn1 Show InChI InChI=1S/C41H48F3N11O3/c1-6-52-15-17-54(18-16-52)38(57)34-12-11-31(22-45-34)48-39-46-21-29-24-55(40(58)51(5)36(29)49-39)35-20-30(10-7-26(35)2)47-37(56)27-8-9-28(33(19-27)41(42,43)44)23-53-14-13-32(25-53)50(3)4/h7-12,19-22,32H,6,13-18,23-25H2,1-5H3,(H,47,56)(H,46,48,49) | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50459199
(CHEMBL4215916)Show SMILES Cc1ccc(Nc2ncc3CN(C(=O)N(c4ccccc4)c3n2)c2cc(NC(=O)c3ccc(C)c(c3)C(F)(F)F)ccc2C)cn1 Show InChI InChI=1S/C34H28F3N7O2/c1-20-9-12-23(15-28(20)34(35,36)37)31(45)40-25-13-10-21(2)29(16-25)43-19-24-17-39-32(41-26-14-11-22(3)38-18-26)42-30(24)44(33(43)46)27-7-5-4-6-8-27/h4-18H,19H2,1-3H3,(H,40,45)(H,39,41,42) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50459221
(CHEMBL4216786)Show SMILES CN(C)C1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)N2Cc3cnc(Nc4ccc(nc4)N4CCN(CC4)C(C)=O)nc3N(C)C2=O)C1 Show InChI InChI=1S/C40H46F3N11O3/c1-25-6-9-30(46-37(56)27-7-8-28(33(18-27)40(41,42)43)22-51-13-12-32(24-51)49(3)4)19-34(25)54-23-29-20-45-38(48-36(29)50(5)39(54)57)47-31-10-11-35(44-21-31)53-16-14-52(15-17-53)26(2)55/h6-11,18-21,32H,12-17,22-24H2,1-5H3,(H,46,56)(H,45,47,48) | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50459207
(CHEMBL4212663)Show SMILES CN(C)C1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)N2Cc3cnc(Nc4cc(C)nn4C)nc3N(C)C2=O)C1 Show InChI InChI=1S/C34H39F3N10O2/c1-20-7-10-25(39-31(48)22-8-9-23(27(14-22)34(35,36)37)17-46-12-11-26(19-46)43(3)4)15-28(20)47-18-24-16-38-32(41-30(24)44(5)33(47)49)40-29-13-21(2)42-45(29)6/h7-10,13-16,26H,11-12,17-19H2,1-6H3,(H,39,48)(H,38,40,41) | MMDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50242740
(CHEMBL459850 | N-(3-(7-Amino-1-methyl-2-oxo-1,2-di...)Show SMILES CN1C(=O)N(Cc2cnc(N)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C22H19F3N6O2/c1-12-6-7-16(28-19(32)13-4-3-5-15(8-13)22(23,24)25)9-17(12)31-11-14-10-27-20(26)29-18(14)30(2)21(31)33/h3-10H,11H2,1-2H3,(H,28,32)(H2,26,27,29) | PDB
MMDB
KEGG
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antibodypedia
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| CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50459209
(CHEMBL4209948)Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cc1 Show InChI InChI=1S/C34H35F3N8O2/c1-4-43-14-16-44(17-15-43)28-12-10-26(11-13-28)40-32-38-20-24-21-45(33(47)42(3)30(24)41-32)29-19-27(9-8-22(29)2)39-31(46)23-6-5-7-25(18-23)34(35,36)37/h5-13,18-20H,4,14-17,21H2,1-3H3,(H,39,46)(H,38,40,41) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50459201
(CHEMBL4217421)Show SMILES CN1C(=O)N(Cc2cnc(Nc3cnn(C)c3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C26H23F3N8O2/c1-15-7-8-19(32-23(38)16-5-4-6-18(9-16)26(27,28)29)10-21(15)37-13-17-11-30-24(33-20-12-31-35(2)14-20)34-22(17)36(3)25(37)39/h4-12,14H,13H2,1-3H3,(H,32,38)(H,30,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50459213
(CHEMBL4212809)Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C29H26F3N7O2/c1-16-5-8-19(11-23(16)29(30,31)32)26(40)35-21-9-6-17(2)24(12-21)39-15-20-13-34-27(37-25(20)38(4)28(39)41)36-22-10-7-18(3)33-14-22/h5-14H,15H2,1-4H3,(H,35,40)(H,34,36,37) | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50459197
(CHEMBL4209082)Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2ccccc2)ccc1C Show InChI InChI=1S/C27H25N7O2/c1-17-9-11-21(30-25(35)19-7-5-4-6-8-19)13-23(17)34-16-20-14-29-26(32-24(20)33(3)27(34)36)31-22-12-10-18(2)28-15-22/h4-15H,16H2,1-3H3,(H,30,35)(H,29,31,32) | PDB
MMDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50459214
(CHEMBL4215989)Show SMILES CN1C(=O)N(Cc2cnc(NCCO)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C24H23F3N6O3/c1-14-6-7-18(30-21(35)15-4-3-5-17(10-15)24(25,26)27)11-19(14)33-13-16-12-29-22(28-8-9-34)31-20(16)32(2)23(33)36/h3-7,10-12,34H,8-9,13H2,1-2H3,(H,30,35)(H,28,29,31) | PDB
MMDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50459200
(CHEMBL4213019)Show SMILES CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c2cc(NC(=O)c3ccc(CN4CCC(C4)N(C)C)c(c3)C(F)(F)F)ccc2C)cn1 Show InChI InChI=1S/C41H48F3N11O3/c1-6-52-15-17-54(18-16-52)38(57)34-12-11-31(22-45-34)48-39-46-21-29-24-55(40(58)51(5)36(29)49-39)35-20-30(10-7-26(35)2)47-37(56)27-8-9-28(33(19-27)41(42,43)44)23-53-14-13-32(25-53)50(3)4/h7-12,19-22,32H,6,13-18,23-25H2,1-5H3,(H,47,56)(H,46,48,49) | PDB
MMDB
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B.MOAD
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50459220
(CHEMBL4203337)Show SMILES CCN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C30H28F3N7O2/c1-5-39-26-21(14-35-28(38-26)37-23-11-8-19(4)34-15-23)16-40(29(39)42)25-13-22(10-7-18(25)3)36-27(41)20-9-6-17(2)24(12-20)30(31,32)33/h6-15H,5,16H2,1-4H3,(H,36,41)(H,35,37,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50459198
(CHEMBL4212150)Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2ccc(c(c2)C(F)(F)F)-n2cccc2)ccc1C Show InChI InChI=1S/C32H27F3N8O2/c1-19-6-9-23(38-29(44)21-8-11-26(42-12-4-5-13-42)25(14-21)32(33,34)35)15-27(19)43-18-22-16-37-30(40-28(22)41(3)31(43)45)39-24-10-7-20(2)36-17-24/h4-17H,18H2,1-3H3,(H,38,44)(H,37,39,40) | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50323777
(CHEMBL1214141 | N-(4-Methyl-3-(1-methyl-7-(6-methy...)Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C28H24F3N7O2/c1-16-7-9-21(34-25(39)18-5-4-6-20(11-18)28(29,30)31)12-23(16)38-15-19-13-33-26(36-24(19)37(3)27(38)40)35-22-10-8-17(2)32-14-22/h4-14H,15H2,1-3H3,(H,34,39)(H,33,35,36) | PDB
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Korea University
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50459212
(CHEMBL4207753)Show SMILES CN(C)C1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)N2Cc3cnc(Nc4cnn(C)c4)nc3N(C)C2=O)C1 Show InChI InChI=1S/C33H37F3N10O2/c1-20-6-9-24(39-30(47)21-7-8-22(27(12-21)33(34,35)36)16-45-11-10-26(19-45)42(2)3)13-28(20)46-17-23-14-37-31(40-25-15-38-43(4)18-25)41-29(23)44(5)32(46)48/h6-9,12-15,18,26H,10-11,16-17,19H2,1-5H3,(H,39,47)(H,37,40,41) | PDB
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Korea University
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50459221
(CHEMBL4216786)Show SMILES CN(C)C1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)N2Cc3cnc(Nc4ccc(nc4)N4CCN(CC4)C(C)=O)nc3N(C)C2=O)C1 Show InChI InChI=1S/C40H46F3N11O3/c1-25-6-9-30(46-37(56)27-7-8-28(33(18-27)40(41,42)43)22-51-13-12-32(24-51)49(3)4)19-34(25)54-23-29-20-45-38(48-36(29)50(5)39(54)57)47-31-10-11-35(44-21-31)53-16-14-52(15-17-53)26(2)55/h6-11,18-21,32H,12-17,22-24H2,1-5H3,(H,46,56)(H,45,47,48) | PDB
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Korea University
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50459219
(CHEMBL4207100)Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)N2Cc3cnc(Nc4ccc(C)nc4)nc3N(C)C2=O)CC1 Show InChI InChI=1S/C34H36F3N9O2/c1-21-5-9-26(40-31(47)23-7-8-24(28(15-23)34(35,36)37)19-45-13-11-43(3)12-14-45)16-29(21)46-20-25-17-39-32(42-30(25)44(4)33(46)48)41-27-10-6-22(2)38-18-27/h5-10,15-18H,11-14,19-20H2,1-4H3,(H,40,47)(H,39,41,42) | PDB
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Korea University
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50459217
(CHEMBL4218831)Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2cc(cc(c2)C(F)(F)F)N2CCOCC2)ccc1C Show InChI InChI=1S/C32H31F3N8O3/c1-19-4-6-24(38-29(44)21-12-23(32(33,34)35)14-26(13-21)42-8-10-46-11-9-42)15-27(19)43-18-22-16-37-30(40-28(22)41(3)31(43)45)39-25-7-5-20(2)36-17-25/h4-7,12-17H,8-11,18H2,1-3H3,(H,38,44)(H,37,39,40) | PDB
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Korea University
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50459202
(CHEMBL4211880)Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2cc(cc(c2)C(F)(F)F)-n2cnc(C)c2)ccc1C Show InChI InChI=1S/C32H28F3N9O2/c1-18-5-7-24(39-29(45)21-9-23(32(33,34)35)11-26(10-21)43-15-20(3)38-17-43)12-27(18)44-16-22-13-37-30(41-28(22)42(4)31(44)46)40-25-8-6-19(2)36-14-25/h5-15,17H,16H2,1-4H3,(H,39,45)(H,37,40,41) | MMDB
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Korea University
Curated by ChEMBL
| Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50242740
(CHEMBL459850 | N-(3-(7-Amino-1-methyl-2-oxo-1,2-di...)Show SMILES CN1C(=O)N(Cc2cnc(N)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C22H19F3N6O2/c1-12-6-7-16(28-19(32)13-4-3-5-15(8-13)22(23,24)25)9-17(12)31-11-14-10-27-20(26)29-18(14)30(2)21(31)33/h3-10H,11H2,1-2H3,(H,28,32)(H2,26,27,29) | MMDB
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Korea University
Curated by ChEMBL
| Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50459218
(CHEMBL4211976)Show SMILES CN1CCN(CC1)c1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(C)c(c1)N1Cc2cnc(Nc3ccc(C)nc3)nc2N(C)C1=O Show InChI InChI=1S/C33H34F3N9O2/c1-20-5-8-24(39-30(46)22-7-10-27(26(15-22)33(34,35)36)44-13-11-42(3)12-14-44)16-28(20)45-19-23-17-38-31(41-29(23)43(4)32(45)47)40-25-9-6-21(2)37-18-25/h5-10,15-18H,11-14,19H2,1-4H3,(H,39,46)(H,38,40,41) | PDB
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Korea University
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50459211
(CHEMBL4214863)Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cn1 Show InChI InChI=1S/C33H34F3N9O2/c1-4-43-12-14-44(15-13-43)28-11-10-26(19-37-28)40-31-38-18-23-20-45(32(47)42(3)29(23)41-31)27-17-25(9-8-21(27)2)39-30(46)22-6-5-7-24(16-22)33(34,35)36/h5-11,16-19H,4,12-15,20H2,1-3H3,(H,39,46)(H,38,40,41) | PDB
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Korea University
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50459214
(CHEMBL4215989)Show SMILES CN1C(=O)N(Cc2cnc(NCCO)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C24H23F3N6O3/c1-14-6-7-18(30-21(35)15-4-3-5-17(10-15)24(25,26)27)11-19(14)33-13-16-12-29-22(28-8-9-34)31-20(16)32(2)23(33)36/h3-7,10-12,34H,8-9,13H2,1-2H3,(H,30,35)(H,28,29,31) | MMDB
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Korea University
Curated by ChEMBL
| Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50459220
(CHEMBL4203337)Show SMILES CCN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C30H28F3N7O2/c1-5-39-26-21(14-35-28(38-26)37-23-11-8-19(4)34-15-23)16-40(29(39)42)25-13-22(10-7-18(25)3)36-27(41)20-9-6-17(2)24(12-20)30(31,32)33/h6-15H,5,16H2,1-4H3,(H,36,41)(H,35,37,38) | MMDB
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Korea University
Curated by ChEMBL
| Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50459205
(CHEMBL4210482)Show SMILES CN1C(=O)N(Cc2cnc(NC3CC3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C25H23F3N6O2/c1-14-6-7-19(30-22(35)15-4-3-5-17(10-15)25(26,27)28)11-20(14)34-13-16-12-29-23(31-18-8-9-18)32-21(16)33(2)24(34)36/h3-7,10-12,18H,8-9,13H2,1-2H3,(H,30,35)(H,29,31,32) | PDB
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Tryptophan 5-hydroxylase 1
(Homo sapiens (Human)) | BDBM563488
((S)-2-amino-3-(4-(4- ((R)-1-(4-chloro-2-(3- meth...)Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1ncnc2c(csc12)-c1ccc(C[C@H](N)C(O)=O)cc1)C(F)(F)F |r| | PDB
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TBA
| Assay Description
In order to confirm the inhibitory effect of the compound represented by formula 1 according to the present invention on the tryptophan hydroxylase a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2Q52STW |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50459222
(CHEMBL4213945)Show SMILES Cc1ccc(Nc2ncc3CN(C(=O)N(C4CC4)c3n2)c2cc(NC(=O)c3ccc(C)c(c3)C(F)(F)F)ccc2C)cn1 Show InChI InChI=1S/C31H28F3N7O2/c1-17-4-7-20(12-25(17)31(32,33)34)28(42)37-22-8-5-18(2)26(13-22)40-16-21-14-36-29(38-23-9-6-19(3)35-15-23)39-27(21)41(30(40)43)24-10-11-24/h4-9,12-15,24H,10-11,16H2,1-3H3,(H,37,42)(H,36,38,39) | PDB
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| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50323778
(CHEMBL1214142 | N-(4-Methyl-3-(1-methyl-2-oxo-7-(p...)Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccccc3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C28H23F3N6O2/c1-17-11-12-22(33-25(38)18-7-6-8-20(13-18)28(29,30)31)14-23(17)37-16-19-15-32-26(34-21-9-4-3-5-10-21)35-24(19)36(2)27(37)39/h3-15H,16H2,1-2H3,(H,33,38)(H,32,34,35) | PDB
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50459213
(CHEMBL4212809)Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C29H26F3N7O2/c1-16-5-8-19(11-23(16)29(30,31)32)26(40)35-21-9-6-17(2)24(12-21)39-15-20-13-34-27(37-25(20)38(4)28(39)41)36-22-10-7-18(3)33-14-22/h5-14H,15H2,1-4H3,(H,35,40)(H,34,36,37) | MMDB
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| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay |
J Med Chem 61: 8353-8373 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31 |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM355869
(N-(4-((5-(3-((dimethylamino)methyl)-5-fluorophenyl...)Show SMILES CN(C)Cc1cc(F)cc(c1)-c1ccn2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c12 Show InChI InChI=1S/C33H28F3N5O3/c1-40(2)19-20-15-21(17-23(35)16-20)26-10-14-41-30(26)29(9-13-37-41)44-28-8-7-25(18-27(28)36)39-32(43)33(11-12-33)31(42)38-24-5-3-22(34)4-6-24/h3-10,13-18H,11-12,19H2,1-2H3,(H,38,42)(H,39,43) | PDB
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| n/a | n/a | <40 | n/a | n/a | n/a | n/a | n/a | n/a |
The Asan Foundation
US Patent
| Assay Description
The inhibitory effect of the compounds of the present invention on the activity of c-Met was confirmed as follows.Specifically, 250 μM G4Y1 pept... |
US Patent US9815840 (2017)
BindingDB Entry DOI: 10.7270/Q2862JQZ |
More data for this
Ligand-Target Pair | |
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