Found 75 hits Enz. Inhib. hit(s) with all data for entry = 50027596 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 |
|---|
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50245852
(CHEMBL458333 | N3-(2,6-dimethylphenyl)-1-(3-methox...)Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc12 Show InChI InChI=1S/C31H41N7O2/c1-22-9-8-10-23(2)27(22)34-28-26-21-32-30(35-29(26)38(36-28)18-15-31(3,4)39-5)33-24-11-13-25(14-12-24)40-20-19-37-16-6-7-17-37/h8-14,21H,6-7,15-20H2,1-5H3,(H,34,36)(H,32,33,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of LCK (unknown origin) |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50245852
(CHEMBL458333 | N3-(2,6-dimethylphenyl)-1-(3-methox...)Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc12 Show InChI InChI=1S/C31H41N7O2/c1-22-9-8-10-23(2)27(22)34-28-26-21-32-30(35-29(26)38(36-28)18-15-31(3,4)39-5)33-24-11-13-25(14-12-24)40-20-19-37-16-6-7-17-37/h8-14,21H,6-7,15-20H2,1-5H3,(H,34,36)(H,32,33,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246162
(CHEMBL472392 | N3-(2,6-dimethylphenyl)-1-(3-methox...)Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12 Show InChI InChI=1S/C29H38N8O/c1-20-7-6-8-21(2)25(20)33-26-24-19-31-28(34-27(24)37(35-26)16-13-29(3,4)38-5)32-22-9-11-23(12-10-22)36-17-14-30-15-18-36/h6-12,19,30H,13-18H2,1-5H3,(H,33,35)(H,31,32,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50245854
(CHEMBL504331 | N3-(2,6-dichlorophenyl)-N6-(3-fluor...)Show SMILES COC(C)(C)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccc(OCCN4CCCC4)c(F)c3)nc12 Show InChI InChI=1S/C29H34Cl2FN7O2/c1-29(2,40-3)11-14-39-27-20(26(37-39)35-25-21(30)7-6-8-22(25)31)18-33-28(36-27)34-19-9-10-24(23(32)17-19)41-16-15-38-12-4-5-13-38/h6-10,17-18H,4-5,11-16H2,1-3H3,(H,35,37)(H,33,34,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246214
(CHEMBL487897 | N3-(2,6-dimethylphenyl)-1-(3-methox...)Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C30H40N8O/c1-21-8-7-9-22(2)26(21)33-27-25-20-31-29(34-28(25)38(35-27)15-14-30(3,4)39-6)32-23-10-12-24(13-11-23)37-18-16-36(5)17-19-37/h7-13,20H,14-19H2,1-6H3,(H,33,35)(H,31,32,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50245853
(CHEMBL502156 | N3-(2,6-dimethylphenyl)-N6-(3-fluor...)Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)c(F)c3)nc12 Show InChI InChI=1S/C31H40FN7O2/c1-21-9-8-10-22(2)27(21)35-28-24-20-33-30(36-29(24)39(37-28)16-13-31(3,4)40-5)34-23-11-12-26(25(32)19-23)41-18-17-38-14-6-7-15-38/h8-12,19-20H,6-7,13-18H2,1-5H3,(H,35,37)(H,33,34,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50245852
(CHEMBL458333 | N3-(2,6-dimethylphenyl)-1-(3-methox...)Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc12 Show InChI InChI=1S/C31H41N7O2/c1-22-9-8-10-23(2)27(22)34-28-26-21-32-30(35-29(26)38(36-28)18-15-31(3,4)39-5)33-24-11-13-25(14-12-24)40-20-19-37-16-6-7-17-37/h8-14,21H,6-7,15-20H2,1-5H3,(H,34,36)(H,32,33,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246164
(CHEMBL487242 | N3-(2,6-dimethylphenyl)-1-(3-methox...)Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C25H30N6O/c1-17-10-9-11-18(2)21(17)28-22-20-16-26-24(27-19-12-7-6-8-13-19)29-23(20)31(30-22)15-14-25(3,4)32-5/h6-13,16H,14-15H2,1-5H3,(H,28,30)(H,26,27,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50245855
(CHEMBL450918 | N3-(2,6-dimethylphenyl)-N6-(3-fluor...)Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCCN4CCCCC4)c(F)c3)nc12 Show InChI InChI=1S/C33H44FN7O2/c1-23-11-9-12-24(2)29(23)37-30-26-22-35-32(38-31(26)41(39-30)19-15-33(3,4)42-5)36-25-13-14-28(27(34)21-25)43-20-10-18-40-16-7-6-8-17-40/h9,11-14,21-22H,6-8,10,15-20H2,1-5H3,(H,37,39)(H,35,36,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246260
(CHEMBL487241 | N3-(2,6-dichlorophenyl)-1-(2-(dimet...)Show SMILES CN(C)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C21H21Cl2N7/c1-29(2)11-12-30-20-15(13-24-21(27-20)25-14-7-4-3-5-8-14)19(28-30)26-18-16(22)9-6-10-17(18)23/h3-10,13H,11-12H2,1-2H3,(H,26,28)(H,24,25,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246261
(CHEMBL487054 | N3-(2,6-dichlorophenyl)-1-(3-(dimet...)Show SMILES CN(C)CCCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C22H23Cl2N7/c1-30(2)12-7-13-31-21-16(14-25-22(28-21)26-15-8-4-3-5-9-15)20(29-31)27-19-17(23)10-6-11-18(19)24/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,27,29)(H,25,26,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246165
(CHEMBL487243 | N3-(2,6-dichlorophenyl)-1-(3-methox...)Show SMILES COC(C)(C)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C23H24Cl2N6O/c1-23(2,32-3)12-13-31-21-16(14-26-22(29-21)27-15-8-5-4-6-9-15)20(30-31)28-19-17(24)10-7-11-18(19)25/h4-11,14H,12-13H2,1-3H3,(H,28,30)(H,26,27,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246162
(CHEMBL472392 | N3-(2,6-dimethylphenyl)-1-(3-methox...)Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12 Show InChI InChI=1S/C29H38N8O/c1-20-7-6-8-21(2)25(20)33-26-24-19-31-28(34-27(24)37(35-26)16-13-29(3,4)38-5)32-22-9-11-23(12-10-22)36-17-14-30-15-18-36/h6-12,19,30H,13-18H2,1-5H3,(H,33,35)(H,31,32,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged ACK1 (unknown origin) autophosphorylation expressed in human 293 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246213
(CHEMBL487896 | N3-(2,6-dichlorophenyl)-1-(3-methox...)Show SMILES COC(C)(C)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12 Show InChI InChI=1S/C27H32Cl2N8O/c1-27(2,38-3)11-14-37-25-20(24(35-37)33-23-21(28)5-4-6-22(23)29)17-31-26(34-25)32-18-7-9-19(10-8-18)36-15-12-30-13-16-36/h4-10,17,30H,11-16H2,1-3H3,(H,33,35)(H,31,32,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged ACK1 (unknown origin) autophosphorylation expressed in human 293 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50245906
(CHEMBL462189 | N3-(2,6-dichlorophenyl)-1-(2-(4-met...)Show SMILES CN1CCN(CCn2nc(Nc3c(Cl)cccc3Cl)c3cnc(Nc4ccccc4)nc23)CC1 Show InChI InChI=1S/C24H26Cl2N8/c1-32-10-12-33(13-11-32)14-15-34-23-18(16-27-24(30-23)28-17-6-3-2-4-7-17)22(31-34)29-21-19(25)8-5-9-20(21)26/h2-9,16H,10-15H2,1H3,(H,29,31)(H,27,28,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246216
((R)-N3-(2,6-dichlorophenyl)-1-(2-(3-(dimethylamino...)Show SMILES CN(C)[C@@H]1CCN(CCn2nc(Nc3c(Cl)cccc3Cl)c3cnc(Nc4ccccc4)nc23)C1 |r| Show InChI InChI=1S/C25H28Cl2N8/c1-33(2)18-11-12-34(16-18)13-14-35-24-19(15-28-25(31-24)29-17-7-4-3-5-8-17)23(32-35)30-22-20(26)9-6-10-21(22)27/h3-10,15,18H,11-14,16H2,1-2H3,(H,30,32)(H,28,29,31)/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50245860
((R)-4-(3-(2,6-dichlorophenylamino)-6-(phenylamino)...)Show SMILES OC[C@H](O)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc12 |r| Show InChI InChI=1S/C21H20Cl2N6O2/c22-16-7-4-8-17(23)18(16)26-19-15-11-24-21(25-13-5-2-1-3-6-13)27-20(15)29(28-19)10-9-14(31)12-30/h1-8,11,14,30-31H,9-10,12H2,(H,26,28)(H,24,25,27)/t14-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50245853
(CHEMBL502156 | N3-(2,6-dimethylphenyl)-N6-(3-fluor...)Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)c(F)c3)nc12 Show InChI InChI=1S/C31H40FN7O2/c1-21-9-8-10-22(2)27(21)35-28-24-20-33-30(36-29(24)39(37-28)16-13-31(3,4)40-5)34-23-11-12-26(25(32)19-23)41-18-17-38-14-6-7-15-38/h8-12,19-20H,6-7,13-18H2,1-5H3,(H,35,37)(H,33,34,36) | PDB
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PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of LCK (unknown origin) |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246213
(CHEMBL487896 | N3-(2,6-dichlorophenyl)-1-(3-methox...)Show SMILES COC(C)(C)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12 Show InChI InChI=1S/C27H32Cl2N8O/c1-27(2,38-3)11-14-37-25-20(24(35-37)33-23-21(28)5-4-6-22(23)29)17-31-26(34-25)32-18-7-9-19(10-8-18)36-15-12-30-13-16-36/h4-10,17,30H,11-16H2,1-3H3,(H,33,35)(H,31,32,34) | PDB
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PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50245905
(CHEMBL459220 | N3-mesityl-1-(3-methoxy-3-methylbut...)Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cc(C)cc2C)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C31H42N8O/c1-21-18-22(2)27(23(3)19-21)34-28-26-20-32-30(35-29(26)39(36-28)13-12-31(4,5)40-7)33-24-8-10-25(11-9-24)38-16-14-37(6)15-17-38/h8-11,18-20H,12-17H2,1-7H3,(H,34,36)(H,32,33,35) | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50245904
(CHEMBL459044 | N-(2,6-dimethylphenyl)-4-(2-ethoxyp...)Show SMILES CCOc1ccccc1Oc1nc(Nc2ccc(cc2)N2CCNCC2)ncc1C(=O)Nc1c(C)cccc1C Show InChI InChI=1S/C31H34N6O3/c1-4-39-26-10-5-6-11-27(26)40-30-25(29(38)35-28-21(2)8-7-9-22(28)3)20-33-31(36-30)34-23-12-14-24(15-13-23)37-18-16-32-17-19-37/h5-15,20,32H,4,16-19H2,1-3H3,(H,35,38)(H,33,34,36) | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of LCK (unknown origin) |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50245857
(CHEMBL514919 | N3-(4-fluoro-2,6-dimethylphenyl)-1-...)Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cc(F)cc2C)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C30H39FN8O/c1-20-17-22(31)18-21(2)26(20)34-27-25-19-32-29(35-28(25)39(36-27)12-11-30(3,4)40-6)33-23-7-9-24(10-8-23)38-15-13-37(5)14-16-38/h7-10,17-19H,11-16H2,1-6H3,(H,34,36)(H,32,33,35) | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50245904
(CHEMBL459044 | N-(2,6-dimethylphenyl)-4-(2-ethoxyp...)Show SMILES CCOc1ccccc1Oc1nc(Nc2ccc(cc2)N2CCNCC2)ncc1C(=O)Nc1c(C)cccc1C Show InChI InChI=1S/C31H34N6O3/c1-4-39-26-10-5-6-11-27(26)40-30-25(29(38)35-28-21(2)8-7-9-22(28)3)20-33-31(36-30)34-23-12-14-24(15-13-23)37-18-16-32-17-19-37/h5-15,20,32H,4,16-19H2,1-3H3,(H,35,38)(H,33,34,36) | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246164
(CHEMBL487242 | N3-(2,6-dimethylphenyl)-1-(3-methox...)Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C25H30N6O/c1-17-10-9-11-18(2)21(17)28-22-20-16-26-24(27-19-12-7-6-8-13-19)29-23(20)31(30-22)15-14-25(3,4)32-5/h6-13,16H,14-15H2,1-5H3,(H,28,30)(H,26,27,29) | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged ACK1 (unknown origin) autophosphorylation expressed in human 293 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246214
(CHEMBL487897 | N3-(2,6-dimethylphenyl)-1-(3-methox...)Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C30H40N8O/c1-21-8-7-9-22(2)26(21)33-27-25-20-31-29(34-28(25)38(35-27)15-14-30(3,4)39-6)32-23-10-12-24(13-11-23)37-18-16-36(5)17-19-37/h7-13,20H,14-19H2,1-6H3,(H,33,35)(H,31,32,34) | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged ACK1 (unknown origin) autophosphorylation expressed in human 293 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50245852
(CHEMBL458333 | N3-(2,6-dimethylphenyl)-1-(3-methox...)Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc12 Show InChI InChI=1S/C31H41N7O2/c1-22-9-8-10-23(2)27(22)34-28-26-21-32-30(35-29(26)38(36-28)18-15-31(3,4)39-5)33-24-11-13-25(14-12-24)40-20-19-37-16-6-7-17-37/h8-14,21H,6-7,15-20H2,1-5H3,(H,34,36)(H,32,33,35) | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged ACK1 (unknown origin) autophosphorylation expressed in human 293 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50245853
(CHEMBL502156 | N3-(2,6-dimethylphenyl)-N6-(3-fluor...)Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)c(F)c3)nc12 Show InChI InChI=1S/C31H40FN7O2/c1-21-9-8-10-22(2)27(21)35-28-24-20-33-30(36-29(24)39(37-28)16-13-31(3,4)40-5)34-23-11-12-26(25(32)19-23)41-18-17-38-14-6-7-15-38/h8-12,19-20H,6-7,13-18H2,1-5H3,(H,35,37)(H,33,34,36) | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged ACK1 (unknown origin) autophosphorylation expressed in human 293 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50245857
(CHEMBL514919 | N3-(4-fluoro-2,6-dimethylphenyl)-1-...)Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cc(F)cc2C)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C30H39FN8O/c1-20-17-22(31)18-21(2)26(20)34-27-25-19-32-29(35-28(25)39(36-27)12-11-30(3,4)40-6)33-23-7-9-24(10-8-23)38-15-13-37(5)14-16-38/h7-10,17-19H,11-16H2,1-6H3,(H,34,36)(H,32,33,35) | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged ACK1 (unknown origin) autophosphorylation expressed in human 293 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246216
((R)-N3-(2,6-dichlorophenyl)-1-(2-(3-(dimethylamino...)Show SMILES CN(C)[C@@H]1CCN(CCn2nc(Nc3c(Cl)cccc3Cl)c3cnc(Nc4ccccc4)nc23)C1 |r| Show InChI InChI=1S/C25H28Cl2N8/c1-33(2)18-11-12-34(16-18)13-14-35-24-19(15-28-25(31-24)29-17-7-4-3-5-8-17)23(32-35)30-22-20(26)9-6-10-21(22)27/h3-10,15,18H,11-14,16H2,1-2H3,(H,30,32)(H,28,29,31)/t18-/m1/s1 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged ACK1 (unknown origin) autophosphorylation expressed in human 293 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246261
(CHEMBL487054 | N3-(2,6-dichlorophenyl)-1-(3-(dimet...)Show SMILES CN(C)CCCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C22H23Cl2N7/c1-30(2)12-7-13-31-21-16(14-25-22(28-21)26-15-8-4-3-5-9-15)20(29-31)27-19-17(23)10-6-11-18(19)24/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,27,29)(H,25,26,28) | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged ACK1 (unknown origin) autophosphorylation expressed in human 293 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50245860
((R)-4-(3-(2,6-dichlorophenylamino)-6-(phenylamino)...)Show SMILES OC[C@H](O)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc12 |r| Show InChI InChI=1S/C21H20Cl2N6O2/c22-16-7-4-8-17(23)18(16)26-19-15-11-24-21(25-13-5-2-1-3-6-13)27-20(15)29(28-19)10-9-14(31)12-30/h1-8,11,14,30-31H,9-10,12H2,(H,26,28)(H,24,25,27)/t14-/m1/s1 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged ACK1 (unknown origin) autophosphorylation expressed in human 293 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246211
(CHEMBL521379 | N3-(4-fluoro-2,6-dimethylphenyl)-1-...)Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cc(F)cc2C)c2cnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C25H29FN6O/c1-16-13-18(26)14-17(2)21(16)29-22-20-15-27-24(28-19-9-7-6-8-10-19)30-23(20)32(31-22)12-11-25(3,4)33-5/h6-10,13-15H,11-12H2,1-5H3,(H,29,31)(H,27,28,30) | PDB
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50245906
(CHEMBL462189 | N3-(2,6-dichlorophenyl)-1-(2-(4-met...)Show SMILES CN1CCN(CCn2nc(Nc3c(Cl)cccc3Cl)c3cnc(Nc4ccccc4)nc23)CC1 Show InChI InChI=1S/C24H26Cl2N8/c1-32-10-12-33(13-11-32)14-15-34-23-18(16-27-24(30-23)28-17-6-3-2-4-7-17)22(31-34)29-21-19(25)8-5-9-20(21)26/h2-9,16H,10-15H2,1H3,(H,29,31)(H,27,28,30) | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged ACK1 (unknown origin) autophosphorylation expressed in human 293 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50245907
(4-(2-(3-(2,6-dichlorophenylamino)-6-(phenylamino)-...)Show SMILES ON1CCN(CCn2nc(Nc3c(Cl)cccc3Cl)c3cnc(Nc4ccccc4)nc23)CC1 Show InChI InChI=1S/C23H24Cl2N8O/c24-18-7-4-8-19(25)20(18)28-21-17-15-26-23(27-16-5-2-1-3-6-16)29-22(17)33(30-21)14-11-31-9-12-32(34)13-10-31/h1-8,15,34H,9-14H2,(H,28,30)(H,26,27,29) | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged ACK1 (unknown origin) autophosphorylation expressed in human 293 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50245854
(CHEMBL504331 | N3-(2,6-dichlorophenyl)-N6-(3-fluor...)Show SMILES COC(C)(C)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccc(OCCN4CCCC4)c(F)c3)nc12 Show InChI InChI=1S/C29H34Cl2FN7O2/c1-29(2,40-3)11-14-39-27-20(26(37-39)35-25-21(30)7-6-8-22(25)31)18-33-28(36-27)34-19-9-10-24(23(32)17-19)41-16-15-38-12-4-5-13-38/h6-10,17-18H,4-5,11-16H2,1-3H3,(H,35,37)(H,33,34,36) | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged ACK1 (unknown origin) autophosphorylation expressed in human 293 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50245861
((R)-4-(3-(2,6-dimethylphenylamino)-6-(phenylamino)...)Show SMILES Cc1cccc(C)c1Nc1nn(CC[C@@H](O)CO)c2nc(Nc3ccccc3)ncc12 |r| Show InChI InChI=1S/C23H26N6O2/c1-15-7-6-8-16(2)20(15)26-21-19-13-24-23(25-17-9-4-3-5-10-17)27-22(19)29(28-21)12-11-18(31)14-30/h3-10,13,18,30-31H,11-12,14H2,1-2H3,(H,26,28)(H,24,25,27)/t18-/m1/s1 | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246262
(1-(3-(dimethylamino)propyl)-N3-(2,6-dimethylphenyl...)Show SMILES CN(C)CCCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C24H29N7/c1-17-10-8-11-18(2)21(17)27-22-20-16-25-24(26-19-12-6-5-7-13-19)28-23(20)31(29-22)15-9-14-30(3)4/h5-8,10-13,16H,9,14-15H2,1-4H3,(H,27,29)(H,25,26,28) | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246217
(2-(3-(2,6-dichlorophenylamino)-6-(phenylamino)-1H-...)Show SMILES CN(C)C(=O)Cn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C21H19Cl2N7O/c1-29(2)17(31)12-30-20-14(11-24-21(27-20)25-13-7-4-3-5-8-13)19(28-30)26-18-15(22)9-6-10-16(18)23/h3-11H,12H2,1-2H3,(H,26,28)(H,24,25,27) | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246215
((R)-(1-(2-(3-(2,6-dichlorophenylamino)-6-(phenylam...)Show SMILES OC[C@H]1CCCN1CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc12 |r| Show InChI InChI=1S/C24H25Cl2N7O/c25-19-9-4-10-20(26)21(19)29-22-18-14-27-24(28-16-6-2-1-3-7-16)30-23(18)33(31-22)13-12-32-11-5-8-17(32)15-34/h1-4,6-7,9-10,14,17,34H,5,8,11-13,15H2,(H,29,31)(H,27,28,30)/t17-/m1/s1 | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246262
(1-(3-(dimethylamino)propyl)-N3-(2,6-dimethylphenyl...)Show SMILES CN(C)CCCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C24H29N7/c1-17-10-8-11-18(2)21(17)27-22-20-16-25-24(26-19-12-6-5-7-13-19)28-23(20)31(29-22)15-9-14-30(3)4/h5-8,10-13,16H,9,14-15H2,1-4H3,(H,27,29)(H,25,26,28) | PDB
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged ACK1 (unknown origin) autophosphorylation expressed in human 293 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246263
(1-(3-(diethylamino)propyl)-N3-(2,6-dimethylphenyl)...)Show SMILES CCN(CC)CCCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C26H33N7/c1-5-32(6-2)16-11-17-33-25-22(18-27-26(30-25)28-21-14-8-7-9-15-21)24(31-33)29-23-19(3)12-10-13-20(23)4/h7-10,12-15,18H,5-6,11,16-17H2,1-4H3,(H,29,31)(H,27,28,30) | PDB
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246165
(CHEMBL487243 | N3-(2,6-dichlorophenyl)-1-(3-methox...)Show SMILES COC(C)(C)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C23H24Cl2N6O/c1-23(2,32-3)12-13-31-21-16(14-26-22(29-21)27-15-8-5-4-6-9-15)20(30-31)28-19-17(24)10-7-11-18(19)25/h4-11,14H,12-13H2,1-3H3,(H,28,30)(H,26,27,29) | PDB
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged ACK1 (unknown origin) autophosphorylation expressed in human 293 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246215
((R)-(1-(2-(3-(2,6-dichlorophenylamino)-6-(phenylam...)Show SMILES OC[C@H]1CCCN1CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc12 |r| Show InChI InChI=1S/C24H25Cl2N7O/c25-19-9-4-10-20(26)21(19)29-22-18-14-27-24(28-16-6-2-1-3-7-16)30-23(18)33(31-22)13-12-32-11-5-8-17(32)15-34/h1-4,6-7,9-10,14,17,34H,5,8,11-13,15H2,(H,29,31)(H,27,28,30)/t17-/m1/s1 | PDB
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged ACK1 (unknown origin) autophosphorylation expressed in human 293 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50245905
(CHEMBL459220 | N3-mesityl-1-(3-methoxy-3-methylbut...)Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cc(C)cc2C)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C31H42N8O/c1-21-18-22(2)27(23(3)19-21)34-28-26-20-32-30(35-29(26)39(36-28)13-12-31(4,5)40-7)33-24-8-10-25(11-9-24)38-16-14-37(6)15-17-38/h8-11,18-20H,12-17H2,1-7H3,(H,34,36)(H,32,33,35) | PDB
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged ACK1 (unknown origin) autophosphorylation expressed in human 293 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50245907
(4-(2-(3-(2,6-dichlorophenylamino)-6-(phenylamino)-...)Show SMILES ON1CCN(CCn2nc(Nc3c(Cl)cccc3Cl)c3cnc(Nc4ccccc4)nc23)CC1 Show InChI InChI=1S/C23H24Cl2N8O/c24-18-7-4-8-19(25)20(18)28-21-17-15-26-23(27-16-5-2-1-3-6-16)29-22(17)33(30-21)14-11-31-9-12-32(34)13-10-31/h1-8,15,34H,9-14H2,(H,28,30)(H,26,27,29) | PDB
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50245908
(CHEMBL518822 | N3-(2,6-dimethylphenyl)-1-(2-morpho...)Show SMILES Cc1cccc(C)c1Nc1nn(CCN2CCOCC2)c2nc(Nc3ccccc3)ncc12 Show InChI InChI=1S/C25H29N7O/c1-18-7-6-8-19(2)22(18)28-23-21-17-26-25(27-20-9-4-3-5-10-20)29-24(21)32(30-23)12-11-31-13-15-33-16-14-31/h3-10,17H,11-16H2,1-2H3,(H,28,30)(H,26,27,29) | PDB
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50245861
((R)-4-(3-(2,6-dimethylphenylamino)-6-(phenylamino)...)Show SMILES Cc1cccc(C)c1Nc1nn(CC[C@@H](O)CO)c2nc(Nc3ccccc3)ncc12 |r| Show InChI InChI=1S/C23H26N6O2/c1-15-7-6-8-16(2)20(15)26-21-19-13-24-23(25-17-9-4-3-5-10-17)27-22(19)29(28-21)12-11-18(31)14-30/h3-10,13,18,30-31H,11-12,14H2,1-2H3,(H,26,28)(H,24,25,27)/t18-/m1/s1 | PDB
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| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged ACK1 (unknown origin) autophosphorylation expressed in human 293 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50245855
(CHEMBL450918 | N3-(2,6-dimethylphenyl)-N6-(3-fluor...)Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCCN4CCCCC4)c(F)c3)nc12 Show InChI InChI=1S/C33H44FN7O2/c1-23-11-9-12-24(2)29(23)37-30-26-22-35-32(38-31(26)41(39-30)19-15-33(3,4)42-5)36-25-13-14-28(27(34)21-25)43-20-10-18-40-16-7-6-8-17-40/h9,11-14,21-22H,6-8,10,15-20H2,1-5H3,(H,37,39)(H,35,36,38) | PDB
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| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged ACK1 (unknown origin) autophosphorylation expressed in human 293 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50245908
(CHEMBL518822 | N3-(2,6-dimethylphenyl)-1-(2-morpho...)Show SMILES Cc1cccc(C)c1Nc1nn(CCN2CCOCC2)c2nc(Nc3ccccc3)ncc12 Show InChI InChI=1S/C25H29N7O/c1-18-7-6-8-19(2)22(18)28-23-21-17-26-25(27-20-9-4-3-5-10-20)29-24(21)32(30-23)12-11-31-13-15-33-16-14-31/h3-10,17H,11-16H2,1-2H3,(H,28,30)(H,26,27,29) | PDB
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| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged ACK1 (unknown origin) autophosphorylation expressed in human 293 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246218
(2-(3-(2,6-dichlorophenylamino)-6-(phenylamino)-1H-...)Show SMILES Clc1cccc(Cl)c1Nc1nn(CC(=O)N2CCOCC2)c2nc(Nc3ccccc3)ncc12 Show InChI InChI=1S/C23H21Cl2N7O2/c24-17-7-4-8-18(25)20(17)28-21-16-13-26-23(27-15-5-2-1-3-6-15)29-22(16)32(30-21)14-19(33)31-9-11-34-12-10-31/h1-8,13H,9-12,14H2,(H,28,30)(H,26,27,29) | PDB
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| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells |
Bioorg Med Chem Lett 18: 6352-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ |
More data for this
Ligand-Target Pair | |
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