Found 72 hits of Enzyme Inhibition Constant Data 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 ITK/TSK
(Homo sapiens (Human)) | BDBM50274339
(CHEMBL485607 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Br)cc3)nc2c1 Show InChI InChI=1S/C25H28BrN5O3/c1-30(24(34)17-5-3-2-4-6-17)19-11-12-21-20(15-19)28-25(31(21)14-13-22(27)32)29-23(33)16-7-9-18(26)10-8-16/h7-12,15,17H,2-6,13-14H2,1H3,(H2,27,32)(H,28,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274045
(3-[2-[2-(4-Cyano-phenyl)-2-oxo-ethyl]-5-(2-cyclohe...)Show SMILES CC(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(CC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C28H30N4O3/c1-18(28(35)21-5-3-2-4-6-21)22-11-12-24-23(15-22)31-27(32(24)14-13-26(30)34)16-25(33)20-9-7-19(17-29)8-10-20/h7-12,15,18,21H,2-6,13-14,16H2,1H3,(H2,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274470
(CHEMBL485555 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccc(c3)C#N)nc2c1 Show InChI InChI=1S/C26H28N6O3/c1-31(25(35)18-7-3-2-4-8-18)20-10-11-22-21(15-20)29-26(32(22)13-12-23(28)33)30-24(34)19-9-5-6-17(14-19)16-27/h5-6,9-11,14-15,18H,2-4,7-8,12-13H2,1H3,(H2,28,33)(H,29,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274340
(CHEMBL483403 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)cc3)nc2c1 Show InChI InChI=1S/C25H28ClN5O3/c1-30(24(34)17-5-3-2-4-6-17)19-11-12-21-20(15-19)28-25(31(21)14-13-22(27)32)29-23(33)16-7-9-18(26)10-8-16/h7-12,15,17H,2-6,13-14H2,1H3,(H2,27,32)(H,28,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274471
(CHEMBL485556 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C26H28N6O3/c1-31(25(35)19-5-3-2-4-6-19)20-11-12-22-21(15-20)29-26(32(22)14-13-23(28)33)30-24(34)18-9-7-17(16-27)8-10-18/h7-12,15,19H,2-6,13-14H2,1H3,(H2,28,33)(H,29,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274669
(CHEMBL485031 | N-(1-(3-(1H-imidazol-1-yl)propyl)-5...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCCn3ccnc3)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C29H31N7O2/c1-34(28(38)23-6-3-2-4-7-23)24-12-13-26-25(18-24)32-29(36(26)16-5-15-35-17-14-31-20-35)33-27(37)22-10-8-21(19-30)9-11-22/h8-14,17-18,20,23H,2-7,15-16H2,1H3,(H,32,33,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274671
(4-cyano-N-(5-(N-methylcyclohexanecarboxamido)-1-(3...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCCN3CCN(C)CC3)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C31H39N7O2/c1-35-17-19-37(20-18-35)15-6-16-38-28-14-13-26(36(2)30(40)25-7-4-3-5-8-25)21-27(28)33-31(38)34-29(39)24-11-9-23(22-32)10-12-24/h9-14,21,25H,3-8,15-20H2,1-2H3,(H,33,34,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274246
(CHEMBL485232 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccnc3)nc2c1 Show InChI InChI=1S/C24H28N6O3/c1-29(23(33)16-6-3-2-4-7-16)18-9-10-20-19(14-18)27-24(30(20)13-11-21(25)31)28-22(32)17-8-5-12-26-15-17/h5,8-10,12,14-16H,2-4,6-7,11,13H2,1H3,(H2,25,31)(H,27,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274705
(4-cyano-N-(5-(N-methylcyclohexanecarboxamido)-1-(3...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(=O)N3CCNCC3)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C30H35N7O3/c1-35(29(40)23-5-3-2-4-6-23)24-11-12-26-25(19-24)33-30(34-28(39)22-9-7-21(20-31)8-10-22)37(26)16-13-27(38)36-17-14-32-15-18-36/h7-12,19,23,32H,2-6,13-18H2,1H3,(H,33,34,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274558
(4-cyano-N-(5-(N-methylcyclohexanecarboxamido)-1-ph...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCc3ccccc3)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C31H31N5O2/c1-35(30(38)25-10-6-3-7-11-25)26-16-17-28-27(20-26)33-31(36(28)19-18-22-8-4-2-5-9-22)34-29(37)24-14-12-23(21-32)13-15-24/h2,4-5,8-9,12-17,20,25H,3,6-7,10-11,18-19H2,1H3,(H,33,34,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274709
(CHEMBL458787 | N-(1-(3-amino-3-oxopropyl)-5-(N-eth...)Show SMILES CCN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C27H30N6O3/c1-2-32(26(36)20-6-4-3-5-7-20)21-12-13-23-22(16-21)30-27(33(23)15-14-24(29)34)31-25(35)19-10-8-18(17-28)9-11-19/h8-13,16,20H,2-7,14-15H2,1H3,(H2,29,34)(H,30,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274005
(CHEMBL516958 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C24H24N6O3/c1-29(23(33)17-3-2-4-17)18-9-10-20-19(13-18)27-24(30(20)12-11-21(26)31)28-22(32)16-7-5-15(14-25)6-8-16/h5-10,13,17H,2-4,11-12H2,1H3,(H2,26,31)(H,27,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274338
(CHEMBL483397 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccc(Br)c3)nc2c1 Show InChI InChI=1S/C25H28BrN5O3/c1-30(24(34)16-6-3-2-4-7-16)19-10-11-21-20(15-19)28-25(31(21)13-12-22(27)32)29-23(33)17-8-5-9-18(26)14-17/h5,8-11,14-16H,2-4,6-7,12-13H2,1H3,(H2,27,32)(H,28,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274631
(4-cyano-N-(1-(3-(methylamino)-3-oxopropyl)-5-(N-me...)Show SMILES CNC(=O)CCn1c(NC(=O)c2ccc(cc2)C#N)nc2cc(ccc12)N(C)C(=O)C1CCCCC1 Show InChI InChI=1S/C27H30N6O3/c1-29-24(34)14-15-33-23-13-12-21(32(2)26(36)20-6-4-3-5-7-20)16-22(23)30-27(33)31-25(35)19-10-8-18(17-28)9-11-19/h8-13,16,20H,3-7,14-15H2,1-2H3,(H,29,34)(H,30,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274206
(CHEMBL485565 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccno3)nc2c1 Show InChI InChI=1S/C22H26N6O4/c1-27(21(31)14-5-3-2-4-6-14)15-7-8-17-16(13-15)25-22(28(17)12-10-19(23)29)26-20(30)18-9-11-24-32-18/h7-9,11,13-14H,2-6,10,12H2,1H3,(H2,23,29)(H,25,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274341
(CHEMBL520312 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES COc1cccc(c1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)C1CCCCC1 Show InChI InChI=1S/C26H31N5O4/c1-30(25(34)17-7-4-3-5-8-17)19-11-12-22-21(16-19)28-26(31(22)14-13-23(27)32)29-24(33)18-9-6-10-20(15-18)35-2/h6,9-12,15-17H,3-5,7-8,13-14H2,1-2H3,(H2,27,32)(H,28,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274247
(CHEMBL485233 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccco3)nc2c1 Show InChI InChI=1S/C23H27N5O4/c1-27(22(31)15-6-3-2-4-7-15)16-9-10-18-17(14-16)25-23(28(18)12-11-20(24)29)26-21(30)19-8-5-13-32-19/h5,8-10,13-15H,2-4,6-7,11-12H2,1H3,(H2,24,29)(H,25,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274392
(CHEMBL484940 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES COc1ccc(cc1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)C1CCCCC1 Show InChI InChI=1S/C26H31N5O4/c1-30(25(34)18-6-4-3-5-7-18)19-10-13-22-21(16-19)28-26(31(22)15-14-23(27)32)29-24(33)17-8-11-20(35-2)12-9-17/h8-13,16,18H,3-7,14-15H2,1-2H3,(H2,27,32)(H,28,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274632
(4-cyano-N-(1-(3-(dimethylamino)-3-oxopropyl)-5-(N-...)Show SMILES CN(C)C(=O)CCn1c(NC(=O)c2ccc(cc2)C#N)nc2cc(ccc12)N(C)C(=O)C1CCCCC1 Show InChI InChI=1S/C28H32N6O3/c1-32(2)25(35)15-16-34-24-14-13-22(33(3)27(37)21-7-5-4-6-8-21)17-23(24)30-28(34)31-26(36)20-11-9-19(18-29)10-12-20/h9-14,17,21H,4-8,15-16H2,1-3H3,(H,30,31,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274555
(CHEMBL484390 | N-(1-butyl-5-(N-methylcyclohexaneca...)Show SMILES CCCCn1c(NC(=O)c2ccc(cc2)C#N)nc2cc(ccc12)N(C)C(=O)C1CCCCC1 Show InChI InChI=1S/C27H31N5O2/c1-3-4-16-32-24-15-14-22(31(2)26(34)21-8-6-5-7-9-21)17-23(24)29-27(32)30-25(33)20-12-10-19(18-28)11-13-20/h10-15,17,21H,3-9,16H2,1-2H3,(H,29,30,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274249
(CHEMBL519698 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccccc3)nc2c1 Show InChI InChI=1S/C25H29N5O3/c1-29(24(33)18-10-6-3-7-11-18)19-12-13-21-20(16-19)27-25(30(21)15-14-22(26)31)28-23(32)17-8-4-2-5-9-17/h2,4-5,8-9,12-13,16,18H,3,6-7,10-11,14-15H2,1H3,(H2,26,31)(H,27,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274629
(4-cyano-N-(1-(3-methoxypropyl)-5-(N-methylcyclohex...)Show SMILES COCCCn1c(NC(=O)c2ccc(cc2)C#N)nc2cc(ccc12)N(C)C(=O)C1CCCCC1 Show InChI InChI=1S/C27H31N5O3/c1-31(26(34)21-7-4-3-5-8-21)22-13-14-24-23(17-22)29-27(32(24)15-6-16-35-2)30-25(33)20-11-9-19(18-28)10-12-20/h9-14,17,21H,3-8,15-16H2,1-2H3,(H,29,30,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274706
(4-cyano-N-(5-(N-methylcyclohexanecarboxamido)-1-(3...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(=O)N3CCN(C)CC3)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C31H37N7O3/c1-35-16-18-37(19-17-35)28(39)14-15-38-27-13-12-25(36(2)30(41)24-6-4-3-5-7-24)20-26(27)33-31(38)34-29(40)23-10-8-22(21-32)9-11-23/h8-13,20,24H,3-7,14-19H2,1-2H3,(H,33,34,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM26813
(CHEMBL460824 | N-[(2E)-5-[benzene(methyl)amido]-1-...)Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C26H22N6O3/c1-31(25(35)19-5-3-2-4-6-19)20-11-12-22-21(15-20)29-26(32(22)14-13-23(28)33)30-24(34)18-9-7-17(16-27)8-10-18/h2-12,15H,13-14H2,1H3,(H2,28,33)(H,29,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274248
(CHEMBL485402 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccncc3)nc2c1 Show InChI InChI=1S/C24H28N6O3/c1-29(23(33)17-5-3-2-4-6-17)18-7-8-20-19(15-18)27-24(30(20)14-11-21(25)31)28-22(32)16-9-12-26-13-10-16/h7-10,12-13,15,17H,2-6,11,14H2,1H3,(H2,25,31)(H,27,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274395
(CHEMBL521468 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C)cc3)nc2c1 Show InChI InChI=1S/C26H31N5O3/c1-17-8-10-18(11-9-17)24(33)29-26-28-21-16-20(12-13-22(21)31(26)15-14-23(27)32)30(2)25(34)19-6-4-3-5-7-19/h8-13,16,19H,3-7,14-15H2,1-2H3,(H2,27,32)(H,28,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274557
(4-cyano-N-(1-isopropyl-5-(N-methylcyclohexanecarbo...)Show SMILES CC(C)n1c(NC(=O)c2ccc(cc2)C#N)nc2cc(ccc12)N(C)C(=O)C1CCCCC1 Show InChI InChI=1S/C26H29N5O2/c1-17(2)31-23-14-13-21(30(3)25(33)20-7-5-4-6-8-20)15-22(23)28-26(31)29-24(32)19-11-9-18(16-27)10-12-19/h9-15,17,20H,4-8H2,1-3H3,(H,28,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274205
(CHEMBL485564 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C23H27N5O3S/c1-27(22(31)15-6-3-2-4-7-15)16-9-10-18-17(14-16)25-23(28(18)12-11-20(24)29)26-21(30)19-8-5-13-32-19/h5,8-10,13-15H,2-4,6-7,11-12H2,1H3,(H2,24,29)(H,25,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274004
(CHEMBL460823 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C23H22N6O3/c1-28(22(32)16-6-7-16)17-8-9-19-18(12-17)26-23(29(19)11-10-20(25)30)27-21(31)15-4-2-14(13-24)3-5-15/h2-5,8-9,12,16H,6-7,10-11H2,1H3,(H2,25,30)(H,26,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274394
(CHEMBL483602 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccc(C)c3)nc2c1 Show InChI InChI=1S/C26H31N5O3/c1-17-7-6-10-19(15-17)24(33)29-26-28-21-16-20(11-12-22(21)31(26)14-13-23(27)32)30(2)25(34)18-8-4-3-5-9-18/h6-7,10-12,15-16,18H,3-5,8-9,13-14H2,1-2H3,(H2,27,32)(H,28,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274752
(CHEMBL458797 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(C)=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C21H20N6O3/c1-13(28)26(2)16-7-8-18-17(11-16)24-21(27(18)10-9-19(23)29)25-20(30)15-5-3-14(12-22)4-6-15/h3-8,11H,9-10H2,1-2H3,(H2,23,29)(H,24,25,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274670
(4-cyano-N-(5-(N-methylcyclohexanecarboxamido)-1-(2...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCN3CCN(C)CC3)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C30H37N7O2/c1-34-14-16-36(17-15-34)18-19-37-27-13-12-25(35(2)29(39)24-6-4-3-5-7-24)20-26(27)32-30(37)33-28(38)23-10-8-22(21-31)9-11-23/h8-13,20,24H,3-7,14-19H2,1-2H3,(H,32,33,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274472
(4-acetyl-N-(1-(3-amino-3-oxopropyl)-5-(N-methylcyc...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C(C)=O)nc2c1 Show InChI InChI=1S/C27H31N5O4/c1-17(33)18-8-10-19(11-9-18)25(35)30-27-29-22-16-21(12-13-23(22)32(27)15-14-24(28)34)31(2)26(36)20-6-4-3-5-7-20/h8-13,16,20H,3-7,14-15H2,1-2H3,(H2,28,34)(H,29,30,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274630
(CHEMBL484934 | N-(1-(2-amino-2-oxoethyl)-5-(N-meth...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C25H26N6O3/c1-30(24(34)18-5-3-2-4-6-18)19-11-12-21-20(13-19)28-25(31(21)15-22(27)32)29-23(33)17-9-7-16(14-26)8-10-17/h7-13,18H,2-6,15H2,1H3,(H2,27,32)(H,28,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274007
(CHEMBL461029 | N-(1-(3-amino-3-oxopropyl)-5-(methy...)Show SMILES CNc1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C19H18N6O2/c1-22-14-6-7-16-15(10-14)23-19(25(16)9-8-17(21)26)24-18(27)13-4-2-12(11-20)3-5-13/h2-7,10,22H,8-9H2,1H3,(H2,21,26)(H,23,24,27) | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274592
(CHEMBL522085 | N-(1-(4-methoxyphenethyl)-5-(N-meth...)Show SMILES COc1ccc(CCn2c(NC(=O)c3ccc(cc3)C#N)nc3cc(ccc23)N(C)C(=O)C2CCCCC2)cc1 Show InChI InChI=1S/C32H33N5O3/c1-36(31(39)25-6-4-3-5-7-25)26-14-17-29-28(20-26)34-32(35-30(38)24-12-8-23(21-33)9-13-24)37(29)19-18-22-10-15-27(40-2)16-11-22/h8-17,20,25H,3-7,18-19H2,1-2H3,(H,34,35,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50274338
(CHEMBL483397 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccc(Br)c3)nc2c1 Show InChI InChI=1S/C25H28BrN5O3/c1-30(24(34)16-6-3-2-4-7-16)19-10-11-21-20(15-19)28-25(31(21)13-12-22(27)32)29-23(33)17-8-5-9-18(26)14-17/h5,8-11,14-16H,2-4,6-7,12-13H2,1H3,(H2,27,32)(H,28,29,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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PC sid
UniChem
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PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of IRK |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50274470
(CHEMBL485555 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccc(c3)C#N)nc2c1 Show InChI InChI=1S/C26H28N6O3/c1-31(25(35)18-7-3-2-4-8-18)20-10-11-22-21(15-20)29-26(32(22)13-12-23(28)33)30-24(34)19-9-5-6-17(14-19)16-27/h5-6,9-11,14-15,18H,2-4,7-8,12-13H2,1H3,(H2,28,33)(H,29,30,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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antibodypedia
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PC sid
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| Article
PubMed
| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of IRK |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50274205
(CHEMBL485564 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C23H27N5O3S/c1-27(22(31)15-6-3-2-4-7-15)16-9-10-18-17(14-16)25-23(28(18)12-11-20(24)29)26-21(30)19-8-5-13-32-19/h5,8-10,13-15H,2-4,6-7,11-12H2,1H3,(H2,24,29)(H,25,26,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
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PC sid
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PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of IRK |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274751
(CHEMBL516173 | N-(1-(3-amino-3-oxopropyl)-5-(N-iso...)Show SMILES CC(C)N(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C28H32N6O3/c1-18(2)34(27(37)21-6-4-3-5-7-21)22-12-13-24-23(16-22)31-28(33(24)15-14-25(30)35)32-26(36)20-10-8-19(17-29)9-11-20/h8-13,16,18,21H,3-7,14-15H2,1-2H3,(H2,30,35)(H,31,32,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274754
(CHEMBL516012 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CC(C)C(=O)N(C)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C23H24N6O3/c1-14(2)22(32)28(3)17-8-9-19-18(12-17)26-23(29(19)11-10-20(25)30)27-21(31)16-6-4-15(13-24)5-7-16/h4-9,12,14H,10-11H2,1-3H3,(H2,25,30)(H,26,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
UniChem
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PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50274249
(CHEMBL519698 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccccc3)nc2c1 Show InChI InChI=1S/C25H29N5O3/c1-29(24(33)18-10-6-3-7-11-18)19-12-13-21-20(16-19)27-25(30(21)15-14-22(26)31)28-23(32)17-8-4-2-5-9-17/h2,4-5,8-9,12-13,16,18H,3,6-7,10-11,14-15H2,1H3,(H2,26,31)(H,27,28,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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antibodypedia
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PC cid
PC sid
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PubMed
| n/a | n/a | 235 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of IRK |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274473
(CHEMBL485390 | methyl 4-((1-(3-amino-3-oxopropyl)-...)Show SMILES COC(=O)c1ccc(cc1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)C1CCCCC1 Show InChI InChI=1S/C27H31N5O5/c1-31(25(35)18-6-4-3-5-7-18)20-12-13-22-21(16-20)29-27(32(22)15-14-23(28)33)30-24(34)17-8-10-19(11-9-17)26(36)37-2/h8-13,16,18H,3-7,14-15H2,1-2H3,(H2,28,33)(H,29,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274511
(4-cyano-N-(1-methyl-5-(N-methylcyclohexanecarboxam...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(C)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C24H25N5O2/c1-28(23(31)18-6-4-3-5-7-18)19-12-13-21-20(14-19)26-24(29(21)2)27-22(30)17-10-8-16(15-25)9-11-17/h8-14,18H,3-7H2,1-2H3,(H,26,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274753
(CHEMBL458798 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CCC(=O)N(C)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C22H22N6O3/c1-3-20(30)27(2)16-8-9-18-17(12-16)25-22(28(18)11-10-19(24)29)26-21(31)15-6-4-14(13-23)5-7-15/h4-9,12H,3,10-11H2,1-2H3,(H2,24,29)(H,25,26,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274340
(CHEMBL483403 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)cc3)nc2c1 Show InChI InChI=1S/C25H28ClN5O3/c1-30(24(34)17-5-3-2-4-6-17)19-11-12-21-20(15-19)28-25(31(21)14-13-22(27)32)29-23(33)16-7-9-18(26)10-8-16/h7-12,15,17H,2-6,13-14H2,1H3,(H2,27,32)(H,28,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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PC sid
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PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of human ITK expressed in chicken DT40 cells assessed as B cell receptor-stimulated calcium influx by FLIPR assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274669
(CHEMBL485031 | N-(1-(3-(1H-imidazol-1-yl)propyl)-5...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCCn3ccnc3)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C29H31N7O2/c1-34(28(38)23-6-3-2-4-7-23)24-12-13-26-25(18-24)32-29(36(26)16-5-15-35-17-14-31-20-35)33-27(37)22-10-8-21(19-30)9-11-22/h8-14,17-18,20,23H,2-7,15-16H2,1H3,(H,32,33,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
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GoogleScholar
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| CHEMBL
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PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of human ITK expressed in chicken DT40 cells assessed as B cell receptor-stimulated calcium influx by FLIPR assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274509
(CHEMBL484546 | N1-(1-(3-amino-3-oxopropyl)-5-(N-me...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C(N)=O)nc2c1 Show InChI InChI=1S/C26H30N6O4/c1-31(25(36)18-5-3-2-4-6-18)19-11-12-21-20(15-19)29-26(32(21)14-13-22(27)33)30-24(35)17-9-7-16(8-10-17)23(28)34/h7-12,15,18H,2-6,13-14H2,1H3,(H2,27,33)(H2,28,34)(H,29,30,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50274341
(CHEMBL520312 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES COc1cccc(c1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)C1CCCCC1 Show InChI InChI=1S/C26H31N5O4/c1-30(25(34)17-7-4-3-5-8-17)19-11-12-22-21(16-19)28-26(31(22)14-13-23(27)32)29-24(33)18-9-6-10-20(15-18)35-2/h6,9-12,15-17H,3-5,7-8,13-14H2,1-2H3,(H2,27,32)(H,28,29,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of IRK |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50274247
(CHEMBL485233 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccco3)nc2c1 Show InChI InChI=1S/C23H27N5O4/c1-27(22(31)15-6-3-2-4-7-15)16-9-10-18-17(14-16)25-23(28(18)12-11-20(24)29)26-21(30)19-8-5-13-32-19/h5,8-10,13-15H,2-4,6-7,11-12H2,1H3,(H2,24,29)(H,25,26,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of IRK |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50274394
(CHEMBL483602 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccc(C)c3)nc2c1 Show InChI InChI=1S/C26H31N5O3/c1-17-7-6-10-19(15-17)24(33)29-26-28-21-16-20(11-12-22(21)31(26)14-13-23(27)32)30(2)25(34)18-8-4-3-5-9-18/h6-7,10-12,15-16,18H,3-5,8-9,13-14H2,1-2H3,(H2,27,32)(H,28,29,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of IRK |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274593
(CHEMBL489266 | N-(1-(2-methoxyphenethyl)-5-(N-meth...)Show SMILES COc1ccccc1CCn1c(NC(=O)c2ccc(cc2)C#N)nc2cc(ccc12)N(C)C(=O)C1CCCCC1 Show InChI InChI=1S/C32H33N5O3/c1-36(31(39)25-9-4-3-5-10-25)26-16-17-28-27(20-26)34-32(35-30(38)24-14-12-22(21-33)13-15-24)37(28)19-18-23-8-6-7-11-29(23)40-2/h6-8,11-17,20,25H,3-5,9-10,18-19H2,1-2H3,(H,34,35,38) | PDB
MMDB
Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50274246
(CHEMBL485232 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccnc3)nc2c1 Show InChI InChI=1S/C24H28N6O3/c1-29(23(33)16-6-3-2-4-7-16)18-9-10-20-19(14-18)27-24(30(20)13-11-21(25)31)28-22(32)17-8-5-12-26-15-17/h5,8-10,12,14-16H,2-4,6-7,11,13H2,1H3,(H2,25,31)(H,27,28,32) | PDB
MMDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of IRK |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274205
(CHEMBL485564 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C23H27N5O3S/c1-27(22(31)15-6-3-2-4-7-15)16-9-10-18-17(14-16)25-23(28(18)12-11-20(24)29)26-21(30)19-8-5-13-32-19/h5,8-10,13-15H,2-4,6-7,11-12H2,1H3,(H2,24,29)(H,25,26,30) | PDB
MMDB
Reactome pathway
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PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of human ITK expressed in chicken DT40 cells assessed as B cell receptor-stimulated calcium influx by FLIPR assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50274206
(CHEMBL485565 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccno3)nc2c1 Show InChI InChI=1S/C22H26N6O4/c1-27(21(31)14-5-3-2-4-6-14)15-7-8-17-16(13-15)25-22(28(17)12-10-19(23)29)26-20(30)18-9-11-24-32-18/h7-9,11,13-14H,2-6,10,12H2,1H3,(H2,23,29)(H,25,26,30) | PDB
MMDB
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PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of IRK |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274594
(CHEMBL489460 | N-(1-(2,4-dichlorophenethyl)-5-(N-m...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCc3ccc(Cl)cc3Cl)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C31H29Cl2N5O2/c1-37(30(40)23-5-3-2-4-6-23)25-13-14-28-27(18-25)35-31(36-29(39)22-9-7-20(19-34)8-10-22)38(28)16-15-21-11-12-24(32)17-26(21)33/h7-14,17-18,23H,2-6,15-16H2,1H3,(H,35,36,39) | PDB
MMDB
Reactome pathway
KEGG
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274393
(CHEMBL484941 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccccc3C)nc2c1 Show InChI InChI=1S/C26H31N5O3/c1-17-8-6-7-11-20(17)24(33)29-26-28-21-16-19(12-13-22(21)31(26)15-14-23(27)32)30(2)25(34)18-9-4-3-5-10-18/h6-8,11-13,16,18H,3-5,9-10,14-15H2,1-2H3,(H2,27,32)(H,28,29,33) | PDB
MMDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50274340
(CHEMBL483403 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)cc3)nc2c1 Show InChI InChI=1S/C25H28ClN5O3/c1-30(24(34)17-5-3-2-4-6-17)19-11-12-21-20(15-19)28-25(31(21)14-13-22(27)32)29-23(33)16-7-9-18(26)10-8-16/h7-12,15,17H,2-6,13-14H2,1H3,(H2,27,32)(H,28,29,33) | PDB
MMDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of IRK |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274508
(4-((1-(3-amino-3-oxopropyl)-5-(N-methylcyclohexane...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C(O)=O)nc2c1 Show InChI InChI=1S/C26H29N5O5/c1-30(24(34)17-5-3-2-4-6-17)19-11-12-21-20(15-19)28-26(31(21)14-13-22(27)32)29-23(33)16-7-9-18(10-8-16)25(35)36/h7-12,15,17H,2-6,13-14H2,1H3,(H2,27,32)(H,35,36)(H,28,29,33) | PDB
MMDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274556
(4-cyano-N-(1-heptyl-5-(N-methylcyclohexanecarboxam...)Show SMILES CCCCCCCn1c(NC(=O)c2ccc(cc2)C#N)nc2cc(ccc12)N(C)C(=O)C1CCCCC1 Show InChI InChI=1S/C30H37N5O2/c1-3-4-5-6-10-19-35-27-18-17-25(34(2)29(37)24-11-8-7-9-12-24)20-26(27)32-30(35)33-28(36)23-15-13-22(21-31)14-16-23/h13-18,20,24H,3-12,19H2,1-2H3,(H,32,33,36) | PDB
MMDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50274248
(CHEMBL485402 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccncc3)nc2c1 Show InChI InChI=1S/C24H28N6O3/c1-29(23(33)17-5-3-2-4-6-17)18-7-8-20-19(15-18)27-24(30(20)14-11-21(25)31)28-22(32)16-9-12-26-13-10-16/h7-10,12-13,15,17H,2-6,11,14H2,1H3,(H2,25,31)(H,27,28,32) | PDB
MMDB
KEGG
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of IRK |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50274339
(CHEMBL485607 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Br)cc3)nc2c1 Show InChI InChI=1S/C25H28BrN5O3/c1-30(24(34)17-5-3-2-4-6-17)19-11-12-21-20(15-19)28-25(31(21)14-13-22(27)32)29-23(33)16-7-9-18(26)10-8-16/h7-12,15,17H,2-6,13-14H2,1H3,(H2,27,32)(H,28,29,33) | PDB
MMDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of IRK |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50274395
(CHEMBL521468 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C)cc3)nc2c1 Show InChI InChI=1S/C26H31N5O3/c1-17-8-10-18(11-9-17)24(33)29-26-28-21-16-20(12-13-22(21)31(26)15-14-23(27)32)30(2)25(34)19-6-4-3-5-7-19/h8-13,16,19H,3-7,14-15H2,1-2H3,(H2,27,32)(H,28,29,33) | PDB
MMDB
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PC sid
UniChem
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of IRK |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50274392
(CHEMBL484940 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES COc1ccc(cc1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)C1CCCCC1 Show InChI InChI=1S/C26H31N5O4/c1-30(25(34)18-6-4-3-5-7-18)19-10-13-22-21(16-19)28-26(31(22)15-14-23(27)32)29-24(33)17-8-11-20(35-2)12-9-17/h8-13,16,18H,3-7,14-15H2,1-2H3,(H2,27,32)(H,28,29,33) | PDB
MMDB
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UniChem
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of IRK |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274510
(CHEMBL485399 | N1-(1-(3-amino-3-oxopropyl)-5-(N-me...)Show SMILES CNC(=O)c1ccc(cc1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)C1CCCCC1 Show InChI InChI=1S/C27H32N6O4/c1-29-24(35)17-8-10-18(11-9-17)25(36)31-27-30-21-16-20(12-13-22(21)33(27)15-14-23(28)34)32(2)26(37)19-6-4-3-5-7-19/h8-13,16,19H,3-7,14-15H2,1-2H3,(H2,28,34)(H,29,35)(H,30,31,36) | PDB
MMDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50274472
(4-acetyl-N-(1-(3-amino-3-oxopropyl)-5-(N-methylcyc...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C(C)=O)nc2c1 Show InChI InChI=1S/C27H31N5O4/c1-17(33)18-8-10-19(11-9-18)25(35)30-27-29-22-16-21(12-13-23(22)32(27)15-14-24(28)34)31(2)26(36)20-6-4-3-5-7-20/h8-13,16,20H,3-7,14-15H2,1-2H3,(H2,28,34)(H,29,30,35) | PDB
MMDB
KEGG
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of IRK |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50274471
(CHEMBL485556 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C26H28N6O3/c1-31(25(35)19-5-3-2-4-6-19)20-11-12-22-21(15-20)29-26(32(22)14-13-23(28)33)30-24(34)18-9-7-17(16-27)8-10-18/h7-12,15,19H,2-6,13-14H2,1H3,(H2,28,33)(H,29,30,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of IRK |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274708
(CHEMBL458604 | N-(2-amino-1-(3-amino-3-oxopropyl)-...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(N)nc2c1 Show InChI InChI=1S/C18H25N5O2/c1-22(17(25)12-5-3-2-4-6-12)13-7-8-15-14(11-13)21-18(20)23(15)10-9-16(19)24/h7-8,11-12H,2-6,9-10H2,1H3,(H2,19,24)(H2,20,21) | PDB
MMDB
Reactome pathway
KEGG
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274707
(CHEMBL485378 | Cyclohexanecarboxylic acid {2-[2-(4...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCc3ccccc3)c(CC(=O)c3ccc(Cl)cc3)nc2c1 Show InChI InChI=1S/C31H32ClN3O2/c1-34(31(37)24-10-6-3-7-11-24)26-16-17-28-27(20-26)33-30(21-29(36)23-12-14-25(32)15-13-23)35(28)19-18-22-8-4-2-5-9-22/h2,4-5,8-9,12-17,20,24H,3,6-7,10-11,18-19,21H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50274709
(CHEMBL458787 | N-(1-(3-amino-3-oxopropyl)-5-(N-eth...)Show SMILES CCN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C27H30N6O3/c1-2-32(26(36)20-6-4-3-5-7-20)21-12-13-23-22(16-21)30-27(33(23)15-14-24(29)34)31-25(35)19-10-8-18(17-28)9-11-19/h8-13,16,20H,2-7,14-15H2,1H3,(H2,29,34)(H,30,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of Lyn kinase |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50274340
(CHEMBL483403 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)cc3)nc2c1 Show InChI InChI=1S/C25H28ClN5O3/c1-30(24(34)17-5-3-2-4-6-17)19-11-12-21-20(15-19)28-25(31(21)14-13-22(27)32)29-23(33)16-7-9-18(26)10-8-16/h7-12,15,17H,2-6,13-14H2,1H3,(H2,27,32)(H,28,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of Lyn kinase |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50274669
(CHEMBL485031 | N-(1-(3-(1H-imidazol-1-yl)propyl)-5...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCCn3ccnc3)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C29H31N7O2/c1-34(28(38)23-6-3-2-4-7-23)24-12-13-26-25(18-24)32-29(36(26)16-5-15-35-17-14-31-20-35)33-27(37)22-10-8-21(19-30)9-11-22/h8-14,17-18,20,23H,2-7,15-16H2,1H3,(H,32,33,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of Lyn kinase |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
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