Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50047985 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 BTK
(Homo sapiens (Human)) | BDBM50357312
(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected sf9 cells using poly(4:1 Glu,Tyr) as substrate by ADP-Glo... |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50199872
(CHEMBL3893465)Show SMILES C=CC(=O)Nc1cccc(c1)-n1cnc2cnc(Nc3ccc(OCCCN4CCOCC4)cc3)nc12 Show InChI InChI=1S/C27H29N7O3/c1-2-25(35)30-21-5-3-6-22(17-21)34-19-29-24-18-28-27(32-26(24)34)31-20-7-9-23(10-8-20)37-14-4-11-33-12-15-36-16-13-33/h2-3,5-10,17-19H,1,4,11-16H2,(H,30,35)(H,28,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected sf9 cells using poly(4:1 Glu,Tyr) as substrate by ADP-Glo... |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50199879
(CHEMBL3966494)Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc3ncn(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C26H28N8O/c1-3-24(35)29-20-6-5-7-22(16-20)34-18-28-23-17-27-26(31-25(23)34)30-19-8-10-21(11-9-19)33-14-12-32(4-2)13-15-33/h3,5-11,16-18H,1,4,12-15H2,2H3,(H,29,35)(H,27,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected sf9 cells using poly(4:1 Glu,Tyr) as substrate by ADP-Glo... |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50199884
(CHEMBL3953720)Show SMILES CC1CN(CCN1C(C)=O)c1ccc(Nc2ncc3ncn(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C27H28N8O2/c1-4-25(37)30-21-6-5-7-23(14-21)35-17-29-24-15-28-27(32-26(24)35)31-20-8-10-22(11-9-20)33-12-13-34(19(3)36)18(2)16-33/h4-11,14-15,17-18H,1,12-13,16H2,2-3H3,(H,30,37)(H,28,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected sf9 cells using poly(4:1 Glu,Tyr) as substrate by ADP-Glo... |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50161162
(AVL-292 | CC-292 | Spebrutinib | US10596172, Compo...)Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C19H18ClN3O/c20-13-9-11-7-8-21-14-6-5-10-3-1-2-4-12(10)16(14)15(11)18-17(13)22-19(24)23-18/h1-4,9,14,16,21H,5-8H2,(H2,22,23,24)/t14-,16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected sf9 cells using poly(4:1 Glu,Tyr) as substrate by ADP-Glo... |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50199885
(CHEMBL3975003)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ncn(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C25H26N8O/c1-3-23(34)28-19-5-4-6-21(15-19)33-17-27-22-16-26-25(30-24(22)33)29-18-7-9-20(10-8-18)32-13-11-31(2)12-14-32/h3-10,15-17H,1,11-14H2,2H3,(H,28,34)(H,26,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected sf9 cells using poly(4:1 Glu,Tyr) as substrate by ADP-Glo... |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50199877
(CHEMBL3982421)Show SMILES CC1CN(CCN1S(C)(=O)=O)c1ccc(Nc2ncc3ncn(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C26H28N8O3S/c1-4-24(35)29-20-6-5-7-22(14-20)33-17-28-23-15-27-26(31-25(23)33)30-19-8-10-21(11-9-19)32-12-13-34(18(2)16-32)38(3,36)37/h4-11,14-15,17-18H,1,12-13,16H2,2-3H3,(H,29,35)(H,27,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected sf9 cells using poly(4:1 Glu,Tyr) as substrate by ADP-Glo... |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50199875
(CHEMBL3975962)Show SMILES C=CC(=O)Nc1cccc(c1)-n1cnc2cnc(Nc3ccc(cc3)N3CCOCC3)nc12 Show InChI InChI=1S/C24H23N7O2/c1-2-22(32)27-18-4-3-5-20(14-18)31-16-26-21-15-25-24(29-23(21)31)28-17-6-8-19(9-7-17)30-10-12-33-13-11-30/h2-9,14-16H,1,10-13H2,(H,27,32)(H,25,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected sf9 cells using poly(4:1 Glu,Tyr) as substrate by ADP-Glo... |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50199874
(CHEMBL3919900)Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc3ncn(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C25H26N8O3S/c1-3-23(34)28-19-5-4-6-21(15-19)33-17-27-22-16-26-25(30-24(22)33)29-18-7-9-20(10-8-18)31-11-13-32(14-12-31)37(2,35)36/h3-10,15-17H,1,11-14H2,2H3,(H,28,34)(H,26,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected sf9 cells using poly(4:1 Glu,Tyr) as substrate by ADP-Glo... |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50199884
(CHEMBL3953720)Show SMILES CC1CN(CCN1C(C)=O)c1ccc(Nc2ncc3ncn(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C27H28N8O2/c1-4-25(37)30-21-6-5-7-23(14-21)35-17-29-24-15-28-27(32-26(24)35)31-20-8-10-22(11-9-20)33-12-13-34(19(3)36)18(2)16-33/h4-11,14-15,17-18H,1,12-13,16H2,2-3H3,(H,30,37)(H,28,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 (unknown origin) |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50199885
(CHEMBL3975003)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ncn(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C25H26N8O/c1-3-23(34)28-19-5-4-6-21(15-19)33-17-27-22-16-26-25(30-24(22)33)29-18-7-9-20(10-8-18)32-13-11-31(2)12-14-32/h3-10,15-17H,1,11-14H2,2H3,(H,28,34)(H,26,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 (unknown origin) |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50199881
(CHEMBL3962478)Show SMILES COc1ccc(Nc2ncc3ncn(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C21H18N6O2/c1-3-19(28)24-15-5-4-6-16(11-15)27-13-23-18-12-22-21(26-20(18)27)25-14-7-9-17(29-2)10-8-14/h3-13H,1H2,2H3,(H,24,28)(H,22,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 (unknown origin) |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50199879
(CHEMBL3966494)Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc3ncn(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C26H28N8O/c1-3-24(35)29-20-6-5-7-22(16-20)34-18-28-23-17-27-26(31-25(23)34)30-19-8-10-21(11-9-19)33-14-12-32(4-2)13-15-33/h3,5-11,16-18H,1,4,12-15H2,2H3,(H,29,35)(H,27,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 (unknown origin) |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50199874
(CHEMBL3919900)Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc3ncn(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C25H26N8O3S/c1-3-23(34)28-19-5-4-6-21(15-19)33-17-27-22-16-26-25(30-24(22)33)29-18-7-9-20(10-8-18)31-11-13-32(14-12-31)37(2,35)36/h3-10,15-17H,1,11-14H2,2H3,(H,28,34)(H,26,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 (unknown origin) |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50199872
(CHEMBL3893465)Show SMILES C=CC(=O)Nc1cccc(c1)-n1cnc2cnc(Nc3ccc(OCCCN4CCOCC4)cc3)nc12 Show InChI InChI=1S/C27H29N7O3/c1-2-25(35)30-21-5-3-6-22(17-21)34-19-29-24-18-28-27(32-26(24)34)31-20-7-9-23(10-8-20)37-14-4-11-33-12-15-36-16-13-33/h2-3,5-10,17-19H,1,4,11-16H2,(H,30,35)(H,28,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 (unknown origin) |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50199877
(CHEMBL3982421)Show SMILES CC1CN(CCN1S(C)(=O)=O)c1ccc(Nc2ncc3ncn(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C26H28N8O3S/c1-4-24(35)29-20-6-5-7-22(14-20)33-17-28-23-15-27-26(31-25(23)33)30-19-8-10-21(11-9-19)32-12-13-34(18(2)16-32)38(3,36)37/h4-11,14-15,17-18H,1,12-13,16H2,2-3H3,(H,29,35)(H,27,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 (unknown origin) |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50199881
(CHEMBL3962478)Show SMILES COc1ccc(Nc2ncc3ncn(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C21H18N6O2/c1-3-19(28)24-15-5-4-6-16(11-15)27-13-23-18-12-22-21(26-20(18)27)25-14-7-9-17(29-2)10-8-14/h3-13H,1H2,2H3,(H,24,28)(H,22,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected sf9 cells using poly(4:1 Glu,Tyr) as substrate by ADP-Glo... |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50199882
(CHEMBL3895185)Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc3ncn(-c4cccc(NC(=O)C=C)c4)c3n2)c(OC)c1 Show InChI InChI=1S/C27H30N8O2/c1-4-25(36)30-19-7-6-8-21(15-19)35-18-29-23-17-28-27(32-26(23)35)31-22-10-9-20(16-24(22)37-3)34-13-11-33(5-2)12-14-34/h4,6-10,15-18H,1,5,11-14H2,2-3H3,(H,30,36)(H,28,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 (unknown origin) |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50199880
(CHEMBL3973451)Show SMILES COc1cc(ccc1Nc1ncc2[nH]c(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCOCC1 Show InChI InChI=1S/C25H25N7O4/c1-3-22(33)27-16-5-4-6-18(13-16)32-23-20(29-25(32)34)15-26-24(30-23)28-19-8-7-17(14-21(19)35-2)31-9-11-36-12-10-31/h3-8,13-15H,1,9-12H2,2H3,(H,27,33)(H,29,34)(H,26,28,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 (unknown origin) |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50199878
(CHEMBL3946985)Show SMILES COc1cc(ccc1Nc1ncc2ncn(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C26H28N8O4S/c1-4-24(35)29-18-6-5-7-20(14-18)34-17-28-22-16-27-26(31-25(22)34)30-21-9-8-19(15-23(21)38-2)32-10-12-33(13-11-32)39(3,36)37/h4-9,14-17H,1,10-13H2,2-3H3,(H,29,35)(H,27,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected sf9 cells using poly(4:1 Glu,Tyr) as substrate by ADP-Glo... |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50199882
(CHEMBL3895185)Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc3ncn(-c4cccc(NC(=O)C=C)c4)c3n2)c(OC)c1 Show InChI InChI=1S/C27H30N8O2/c1-4-25(36)30-19-7-6-8-21(15-19)35-18-29-23-17-28-27(32-26(23)35)31-22-10-9-20(16-24(22)37-3)34-13-11-33(5-2)12-14-34/h4,6-10,15-18H,1,5,11-14H2,2-3H3,(H,30,36)(H,28,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected sf9 cells using poly(4:1 Glu,Tyr) as substrate by ADP-Glo... |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50199876
(CHEMBL3963986)Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc3[nH]c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C26H28N8O2/c1-3-23(35)28-19-6-5-7-21(16-19)34-24-22(30-26(34)36)17-27-25(31-24)29-18-8-10-20(11-9-18)33-14-12-32(4-2)13-15-33/h3,5-11,16-17H,1,4,12-15H2,2H3,(H,28,35)(H,30,36)(H,27,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected sf9 cells using poly(4:1 Glu,Tyr) as substrate by ADP-Glo... |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50199880
(CHEMBL3973451)Show SMILES COc1cc(ccc1Nc1ncc2[nH]c(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCOCC1 Show InChI InChI=1S/C25H25N7O4/c1-3-22(33)27-16-5-4-6-18(13-16)32-23-20(29-25(32)34)15-26-24(30-23)28-19-8-7-17(14-21(19)35-2)31-9-11-36-12-10-31/h3-8,13-15H,1,9-12H2,2H3,(H,27,33)(H,29,34)(H,26,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected sf9 cells using poly(4:1 Glu,Tyr) as substrate by ADP-Glo... |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50199878
(CHEMBL3946985)Show SMILES COc1cc(ccc1Nc1ncc2ncn(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C26H28N8O4S/c1-4-24(35)29-18-6-5-7-20(14-18)34-17-28-22-16-27-26(31-25(22)34)30-21-9-8-19(15-23(21)38-2)32-10-12-33(13-11-32)39(3,36)37/h4-9,14-17H,1,10-13H2,2-3H3,(H,29,35)(H,27,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 (unknown origin) |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50199876
(CHEMBL3963986)Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc3[nH]c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C26H28N8O2/c1-3-23(35)28-19-6-5-7-21(16-19)34-24-22(30-26(34)36)17-27-25(31-24)29-18-8-10-20(11-9-18)33-14-12-32(4-2)13-15-33/h3,5-11,16-17H,1,4,12-15H2,2H3,(H,28,35)(H,30,36)(H,27,29,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 (unknown origin) |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50199875
(CHEMBL3975962)Show SMILES C=CC(=O)Nc1cccc(c1)-n1cnc2cnc(Nc3ccc(cc3)N3CCOCC3)nc12 Show InChI InChI=1S/C24H23N7O2/c1-2-22(32)27-18-4-3-5-20(14-18)31-16-26-21-15-25-24(29-23(21)31)28-17-6-8-19(9-7-17)30-10-12-33-13-11-30/h2-9,14-16H,1,10-13H2,(H,27,32)(H,25,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 (unknown origin) |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50199873
(CHEMBL3904111)Show SMILES COc1cc(ccc1Nc1ncc2ncn(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C26H28N8O2/c1-4-24(35)29-18-6-5-7-20(14-18)34-17-28-22-16-27-26(31-25(22)34)30-21-9-8-19(15-23(21)36-3)33-12-10-32(2)11-13-33/h4-9,14-17H,1,10-13H2,2-3H3,(H,29,35)(H,27,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected sf9 cells using poly(4:1 Glu,Tyr) as substrate by ADP-Glo... |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50199873
(CHEMBL3904111)Show SMILES COc1cc(ccc1Nc1ncc2ncn(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C26H28N8O2/c1-4-24(35)29-18-6-5-7-20(14-18)34-17-28-22-16-27-26(31-25(22)34)30-21-9-8-19(15-23(21)36-3)33-12-10-32(2)11-13-33/h4-9,14-17H,1,10-13H2,2-3H3,(H,29,35)(H,27,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian Medical University
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 (unknown origin) |
ACS Med Chem Lett 7: 1050-1055 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00235
BindingDB Entry DOI: 10.7270/Q2CN75VH |
More data for this
Ligand-Target Pair | |
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