Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50033186 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 |
|---|
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50341125
(CHEMBL1760371 | N-(3-tert-butyl-5-(4-methyl-1H-imi...)Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)cc(c1)C(C)(C)C Show InChI InChI=1S/C30H30N6OS/c1-19-8-9-21(11-26(19)34-29-35-27(17-38-29)22-7-6-10-31-15-22)28(37)33-24-12-23(30(3,4)5)13-25(14-24)36-16-20(2)32-18-36/h6-18H,1-5H3,(H,33,37)(H,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay |
Bioorg Med Chem Lett 21: 1965-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.029
BindingDB Entry DOI: 10.7270/Q26D5T9G |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50237710
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 39.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay |
Bioorg Med Chem Lett 21: 1965-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.029
BindingDB Entry DOI: 10.7270/Q26D5T9G |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50341124
(CHEMBL1760370 | N-(3-isopropyl-5-(4-methyl-1H-imid...)Show SMILES CC(C)c1cc(NC(=O)c2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)cc(c1)-n1cnc(C)c1 Show InChI InChI=1S/C29H28N6OS/c1-18(2)23-10-24(13-25(11-23)35-15-20(4)31-17-35)32-28(36)21-8-7-19(3)26(12-21)33-29-34-27(16-37-29)22-6-5-9-30-14-22/h5-18H,1-4H3,(H,32,36)(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 177 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay |
Bioorg Med Chem Lett 21: 1965-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.029
BindingDB Entry DOI: 10.7270/Q26D5T9G |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50341121
(4-methyl-N-(3-(1-methyl-1H-1,2,3-triazol-4-yl)-5-(...)Show SMILES Cc1ccc(cc1Nc1nc(cs1)-c1cccnc1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-c1cn(C)nn1 Show InChI InChI=1S/C26H20F3N7OS/c1-15-5-6-16(10-21(15)32-25-33-23(14-38-25)17-4-3-7-30-12-17)24(37)31-20-9-18(22-13-36(2)35-34-22)8-19(11-20)26(27,28)29/h3-14H,1-2H3,(H,31,37)(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 277 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay |
Bioorg Med Chem Lett 21: 1965-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.029
BindingDB Entry DOI: 10.7270/Q26D5T9G |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM11
(beta-cyclodextrin | betadex)Show SMILES [H][C@]1(CO)O[C@]2([H])O[C@]3([H])[C@@]([H])(CO)O[C@]([H])(O[C@]4([H])[C@@]([H])(CO)O[C@]([H])(O[C@]5([H])[C@@]([H])(CO)O[C@]([H])(O[C@]6([H])[C@@]([H])(CO)O[C@]([H])(O[C@]7([H])[C@@]([H])(CO)O[C@]([H])(O[C@]8([H])[C@@]([H])(CO)O[C@]([H])(O[C@@]1([H])[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]8([H])O)[C@]([H])(O)[C@@]7([H])O)[C@]([H])(O)[C@@]6([H])O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O Show InChI InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 309 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay |
Bioorg Med Chem Lett 21: 1965-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.029
BindingDB Entry DOI: 10.7270/Q26D5T9G |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50341119
(4-methyl-N-(3-(3-methyl-1H-1,2,4-triazol-1-yl)-5-(...)Show SMILES Cc1ncn(n1)-c1cc(NC(=O)c2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C26H20F3N7OS/c1-15-5-6-17(8-22(15)33-25-34-23(13-38-25)18-4-3-7-30-12-18)24(37)32-20-9-19(26(27,28)29)10-21(11-20)36-14-31-16(2)35-36/h3-14H,1-2H3,(H,32,37)(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay |
Bioorg Med Chem Lett 21: 1965-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.029
BindingDB Entry DOI: 10.7270/Q26D5T9G |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50341120
(4-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(triflu...)Show SMILES Cc1ccc(cc1Nc1nc(cs1)-c1cccnc1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-c1cnn(C)c1 Show InChI InChI=1S/C27H21F3N6OS/c1-16-5-6-17(10-23(16)34-26-35-24(15-38-26)18-4-3-7-31-12-18)25(37)33-22-9-19(20-13-32-36(2)14-20)8-21(11-22)27(28,29)30/h3-15H,1-2H3,(H,33,37)(H,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 491 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay |
Bioorg Med Chem Lett 21: 1965-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.029
BindingDB Entry DOI: 10.7270/Q26D5T9G |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50341118
(CHEMBL1760364 | N-(5-(1H-imidazol-1-yl)-3-(trifluo...)Show SMILES Cc1ccc(cc1Nc1nc(cs1)-c1cccnc1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1ccnc1 Show InChI InChI=1S/C26H19F3N6OS/c1-16-4-5-17(9-22(16)33-25-34-23(14-37-25)18-3-2-6-30-13-18)24(36)32-20-10-19(26(27,28)29)11-21(12-20)35-8-7-31-15-35/h2-15H,1H3,(H,32,36)(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 507 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay |
Bioorg Med Chem Lett 21: 1965-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.029
BindingDB Entry DOI: 10.7270/Q26D5T9G |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50341117
(CHEMBL1760363 | N-(5-(4-methyl-1H-imidazol-1-yl)-3...)Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C27H21F3N6OS/c1-16-5-6-18(8-23(16)34-26-35-24(14-38-26)19-4-3-7-31-12-19)25(37)33-21-9-20(27(28,29)30)10-22(11-21)36-13-17(2)32-15-36/h3-15H,1-2H3,(H,33,37)(H,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 671 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay |
Bioorg Med Chem Lett 21: 1965-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.029
BindingDB Entry DOI: 10.7270/Q26D5T9G |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50341123
(4-methyl-N-(3-methyl-5-(4-methyl-1H-imidazol-1-yl)...)Show SMILES Cc1cn(cn1)-c1cc(C)cc(NC(=O)c2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C27H24N6OS/c1-17-9-22(12-23(10-17)33-14-19(3)29-16-33)30-26(34)20-7-6-18(2)24(11-20)31-27-32-25(15-35-27)21-5-4-8-28-13-21/h4-16H,1-3H3,(H,30,34)(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 774 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay |
Bioorg Med Chem Lett 21: 1965-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.029
BindingDB Entry DOI: 10.7270/Q26D5T9G |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50341127
(CHEMBL1760373 | N-(3-chloro-5-(4-methyl-1H-imidazo...)Show SMILES Cc1cn(cn1)-c1cc(Cl)cc(NC(=O)c2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C26H21ClN6OS/c1-16-5-6-18(8-23(16)31-26-32-24(14-35-26)19-4-3-7-28-12-19)25(34)30-21-9-20(27)10-22(11-21)33-13-17(2)29-15-33/h3-15H,1-2H3,(H,30,34)(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay |
Bioorg Med Chem Lett 21: 1965-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.029
BindingDB Entry DOI: 10.7270/Q26D5T9G |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50341126
(CHEMBL1760372 | N-[3-Adamantan-1-yl-5-(4-methyl-im...)Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)cc(c1)C12CC3CC(CC(C3)C1)C2 |TLB:37:38:35.36.41:42,THB:37:36:42:43.38.39,39:38:35:41.40.42,39:40:35:43.37.38| Show InChI InChI=1S/C36H36N6OS/c1-22-5-6-27(11-32(22)40-35-41-33(20-44-35)28-4-3-7-37-18-28)34(43)39-30-12-29(13-31(14-30)42-19-23(2)38-21-42)36-15-24-8-25(16-36)10-26(9-24)17-36/h3-7,11-14,18-21,24-26H,8-10,15-17H2,1-2H3,(H,39,43)(H,40,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay |
Bioorg Med Chem Lett 21: 1965-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.029
BindingDB Entry DOI: 10.7270/Q26D5T9G |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50341128
(CHEMBL1760374 | N-(3-(4-methyl-1H-imidazol-1-yl)-5...)Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2cccc(Nc3nc(cs3)-c3cccnc3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C26H19F3N6OS/c1-16-13-35(15-31-16)22-10-19(26(27,28)29)9-21(11-22)32-24(36)17-4-2-6-20(8-17)33-25-34-23(14-37-25)18-5-3-7-30-12-18/h2-15H,1H3,(H,32,36)(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay |
Bioorg Med Chem Lett 21: 1965-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.029
BindingDB Entry DOI: 10.7270/Q26D5T9G |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50341129
(4-ethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(triflu...)Show SMILES CCc1ccc(cc1Nc1nc(cs1)-c1cccnc1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1 Show InChI InChI=1S/C28H23F3N6OS/c1-3-18-6-7-19(9-24(18)35-27-36-25(15-39-27)20-5-4-8-32-13-20)26(38)34-22-10-21(28(29,30)31)11-23(12-22)37-14-17(2)33-16-37/h4-16H,3H2,1-2H3,(H,34,38)(H,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay |
Bioorg Med Chem Lett 21: 1965-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.029
BindingDB Entry DOI: 10.7270/Q26D5T9G |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50341122
(4-methyl-3-(4-(pyridin-3-yl)thiazol-2-ylamino)-N-(...)Show SMILES Cc1ccc(cc1Nc1nc(cs1)-c1cccnc1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H17F3N4OS/c1-14-7-8-15(21(31)28-18-6-2-5-17(11-18)23(24,25)26)10-19(14)29-22-30-20(13-32-22)16-4-3-9-27-12-16/h2-13H,1H3,(H,28,31)(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of Bcr/Abl by FRET-based Z-lyte assay |
Bioorg Med Chem Lett 21: 1965-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.029
BindingDB Entry DOI: 10.7270/Q26D5T9G |
More data for this
Ligand-Target Pair | |
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