Found 45 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 |
|---|
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50320968
(2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-18(9-10-26-29)13-24-23(30)17-8-7-16-11-21(27-20(16)12-17)22-19(14-25-28-22)15-5-3-2-4-6-15/h2-12,14,27H,13H2,1H3,(H,24,30)(H,25,28) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length CDK2/Cyclin E after 40 mins by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320969
(CHEMBL1164353 | Phenyl-1H-pyrazol-3-yl)-1H-indole-...)Show SMILES CC(C)CN(C)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H24N4O/c1-15(2)14-27(3)23(28)18-10-9-17-11-21(25-20(17)12-18)22-19(13-24-26-22)16-7-5-4-6-8-16/h4-13,15,25H,14H2,1-3H3,(H,24,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50320970
(2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES Cc1oncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H19N5O2/c1-14-18(12-26-30-14)11-24-23(29)17-8-7-16-9-21(27-20(16)10-17)22-19(13-25-28-22)15-5-3-2-4-6-15/h2-10,12-13,27H,11H2,1H3,(H,24,29)(H,25,28) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length CDK2/Cyclin E after 40 mins by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320992
(2-(5-Benzyl-1H-pyrazol-3-yl)-3-[(4-fluorobenzylami...)Show SMILES CC(C)CN(C)C(=O)c1ccc2c(CNCc3ccc(F)cc3)c([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C32H34FN5O/c1-21(2)20-38(3)32(39)24-11-14-27-28(19-34-18-23-9-12-25(33)13-10-23)31(35-29(27)16-24)30-17-26(36-37-30)15-22-7-5-4-6-8-22/h4-14,16-17,21,34-35H,15,18-20H2,1-3H3,(H,36,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50320967
(2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-14-24-11-18(29)12-25-23(30)17-8-7-16-9-21(27-20(16)10-17)22-19(13-26-28-22)15-5-3-2-4-6-15/h2-11,13-14,27H,12H2,1H3,(H,25,30)(H,26,28) | 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 | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length GSK3-beta assessed as inhibition of ATP consumption after 60 mins by luminescence assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320979
(2-(5-Benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES CC(C)CN(C)C(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C24H26N4O/c1-16(2)15-28(3)24(29)19-10-9-18-12-22(25-21(18)13-19)23-14-20(26-27-23)11-17-7-5-4-6-8-17/h4-10,12-14,16,25H,11,15H2,1-3H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320994
(2-(5-Benzyl-1H-pyrazol-3-yl)-3-morpholin-4-ylmethy...)Show SMILES Cn1cncc1CNC(=O)c1ccc2c(CN3CCOCC3)c([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C29H31N7O2/c1-35-19-30-16-23(35)17-31-29(37)21-7-8-24-25(18-36-9-11-38-12-10-36)28(32-26(24)14-21)27-15-22(33-34-27)13-20-5-3-2-4-6-20/h2-8,14-16,19,32H,9-13,17-18H2,1H3,(H,31,37)(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320978
(2-(5-Benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C24H22N6O/c1-30-15-25-13-20(30)14-26-24(31)18-8-7-17-10-22(27-21(17)11-18)23-12-19(28-29-23)9-16-5-3-2-4-6-16/h2-8,10-13,15,27H,9,14H2,1H3,(H,26,31)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50320967
(2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-14-24-11-18(29)12-25-23(30)17-8-7-16-9-21(27-20(16)10-17)22-19(13-26-28-22)15-5-3-2-4-6-15/h2-11,13-14,27H,12H2,1H3,(H,25,30)(H,26,28) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length CDK2/Cyclin E after 40 mins by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320968
(2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-18(9-10-26-29)13-24-23(30)17-8-7-16-11-21(27-20(16)12-17)22-19(14-25-28-22)15-5-3-2-4-6-15/h2-12,14,27H,13H2,1H3,(H,24,30)(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320970
(2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES Cc1oncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H19N5O2/c1-14-18(12-26-30-14)11-24-23(29)17-8-7-16-9-21(27-20(16)10-17)22-19(13-25-28-22)15-5-3-2-4-6-15/h2-10,12-13,27H,11H2,1H3,(H,24,29)(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320967
(2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-14-24-11-18(29)12-25-23(30)17-8-7-16-9-21(27-20(16)10-17)22-19(13-26-28-22)15-5-3-2-4-6-15/h2-11,13-14,27H,12H2,1H3,(H,25,30)(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320991
(2-(5-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES CC(C)CN(C)C(=O)c1ccc2cc([nH]c2c1)-c1cc([nH]n1)-c1ccccc1 Show InChI InChI=1S/C23H24N4O/c1-15(2)14-27(3)23(28)18-10-9-17-11-21(24-19(17)12-18)22-13-20(25-26-22)16-7-5-4-6-8-16/h4-13,15,24H,14H2,1-3H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320989
(2-(5-Benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C24H22N6O/c1-30-20(9-10-26-30)15-25-24(31)18-8-7-17-12-22(27-21(17)13-18)23-14-19(28-29-23)11-16-5-3-2-4-6-16/h2-10,12-14,27H,11,15H2,1H3,(H,25,31)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320972
(2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES O=C(NCc1cnccn1)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H18N6O/c30-23(26-13-18-12-24-8-9-25-18)17-7-6-16-10-21(28-20(16)11-17)22-19(14-27-29-22)15-4-2-1-3-5-15/h1-12,14,28H,13H2,(H,26,30)(H,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50320968
(2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-18(9-10-26-29)13-24-23(30)17-8-7-16-11-21(27-20(16)12-17)22-19(14-25-28-22)15-5-3-2-4-6-15/h2-12,14,27H,13H2,1H3,(H,24,30)(H,25,28) | 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 | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length GSK3-beta assessed as inhibition of ATP consumption after 60 mins by luminescence assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320977
(2-(5-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc([nH]n1)-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-14-24-12-18(29)13-25-23(30)17-8-7-16-9-21(26-19(16)10-17)22-11-20(27-28-22)15-5-3-2-4-6-15/h2-12,14,26H,13H2,1H3,(H,25,30)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320987
(2-(5-Benzyl-1H-pyrazol-3-yl)-3-hydroxymethyl-1Hind...)Show SMILES Cn1nccc1CNC(=O)c1ccc2c(CO)c([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C25H24N6O2/c1-31-19(9-10-27-31)14-26-25(33)17-7-8-20-21(15-32)24(28-22(20)12-17)23-13-18(29-30-23)11-16-5-3-2-4-6-16/h2-10,12-13,28,32H,11,14-15H2,1H3,(H,26,33)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320975
(2-(5-Benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES CNC(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C20H18N4O/c1-21-20(25)15-8-7-14-10-18(22-17(14)11-15)19-12-16(23-24-19)9-13-5-3-2-4-6-13/h2-8,10-12,22H,9H2,1H3,(H,21,25)(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320974
(2-(5-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES Cc1oncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc([nH]n1)-c1ccccc1 Show InChI InChI=1S/C23H19N5O2/c1-14-18(13-25-30-14)12-24-23(29)17-8-7-16-9-21(26-19(16)10-17)22-11-20(27-28-22)15-5-3-2-4-6-15/h2-11,13,26H,12H2,1H3,(H,24,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320971
(2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES FC(F)(F)c1ccc(CNC(=O)c2ccc3cc([nH]c3c2)-c2n[nH]cc2-c2ccccc2)cn1 Show InChI InChI=1S/C25H18F3N5O/c26-25(27,28)22-9-6-15(12-29-22)13-30-24(34)18-8-7-17-10-21(32-20(17)11-18)23-19(14-31-33-23)16-4-2-1-3-5-16/h1-12,14,32H,13H2,(H,30,34)(H,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320976
(2-(5-Benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES Cc1oncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C24H21N5O2/c1-15-19(14-26-31-15)13-25-24(30)18-8-7-17-10-22(27-21(17)11-18)23-12-20(28-29-23)9-16-5-3-2-4-6-16/h2-8,10-12,14,27H,9,13H2,1H3,(H,25,30)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320980
(2-(5-Benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES O=C(NCc1cnccn1)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C24H20N6O/c31-24(27-15-20-14-25-8-9-26-20)18-7-6-17-11-22(28-21(17)12-18)23-13-19(29-30-23)10-16-4-2-1-3-5-16/h1-9,11-14,28H,10,15H2,(H,27,31)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50320970
(2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES Cc1oncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H19N5O2/c1-14-18(12-26-30-14)11-24-23(29)17-8-7-16-9-21(27-20(16)10-17)22-19(13-25-28-22)15-5-3-2-4-6-15/h2-10,12-13,27H,11H2,1H3,(H,24,29)(H,25,28) | 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 | 2.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length GSK3-beta assessed as inhibition of ATP consumption after 60 mins by luminescence assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320973
(2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES COCCNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C21H20N4O2/c1-27-10-9-22-21(26)16-8-7-15-11-19(24-18(15)12-16)20-17(13-23-25-20)14-5-3-2-4-6-14/h2-8,11-13,24H,9-10H2,1H3,(H,22,26)(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320984
(2-(5-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc([nH]n1)-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-18(9-10-25-29)14-24-23(30)17-8-7-16-11-21(26-19(16)12-17)22-13-20(27-28-22)15-5-3-2-4-6-15/h2-13,26H,14H2,1H3,(H,24,30)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320981
(2-(5-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES COCCNC(=O)c1ccc2cc([nH]c2c1)-c1cc([nH]n1)-c1ccccc1 Show InChI InChI=1S/C21H20N4O2/c1-27-10-9-22-21(26)16-8-7-15-11-19(23-17(15)12-16)20-13-18(24-25-20)14-5-3-2-4-6-14/h2-8,11-13,23H,9-10H2,1H3,(H,22,26)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50320969
(CHEMBL1164353 | Phenyl-1H-pyrazol-3-yl)-1H-indole-...)Show SMILES CC(C)CN(C)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H24N4O/c1-15(2)14-27(3)23(28)18-10-9-17-11-21(25-20(17)12-18)22-19(13-24-26-22)16-7-5-4-6-8-16/h4-13,15,25H,14H2,1-3H3,(H,24,26) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length CDK2/Cyclin E after 40 mins by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320983
(2-(5-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES O=C(NCc1cnccn1)c1ccc2cc([nH]c2c1)-c1cc([nH]n1)-c1ccccc1 Show InChI InChI=1S/C23H18N6O/c30-23(26-14-18-13-24-8-9-25-18)17-7-6-16-10-21(27-19(16)11-17)22-12-20(28-29-22)15-4-2-1-3-5-15/h1-13,27H,14H2,(H,26,30)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320988
(2-(5-benzyl-1H-pyrazol-3-yl)-N-methyl-3-((pyridin-...)Show SMILES CNC(=O)c1ccc2c(CNCc3ccncc3)c([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C27H26N6O/c1-28-27(34)20-7-8-22-23(17-30-16-19-9-11-29-12-10-19)26(31-24(22)14-20)25-15-21(32-33-25)13-18-5-3-2-4-6-18/h2-12,14-15,30-31H,13,16-17H2,1H3,(H,28,34)(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50320978
(2-(5-Benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C24H22N6O/c1-30-15-25-13-20(30)14-26-24(31)18-8-7-17-10-22(27-21(17)11-18)23-12-19(28-29-23)9-16-5-3-2-4-6-16/h2-8,10-13,15,27H,9,14H2,1H3,(H,26,31)(H,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged recombinant INSR catalytic domain expressed in baculovirus-infected Sf21 cells after 80 mins by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50320970
(2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES Cc1oncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H19N5O2/c1-14-18(12-26-30-14)11-24-23(29)17-8-7-16-9-21(27-20(16)10-17)22-19(13-25-28-22)15-5-3-2-4-6-15/h2-10,12-13,27H,11H2,1H3,(H,24,29)(H,25,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged recombinant INSR catalytic domain expressed in baculovirus-infected Sf21 cells after 80 mins by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50320969
(CHEMBL1164353 | Phenyl-1H-pyrazol-3-yl)-1H-indole-...)Show SMILES CC(C)CN(C)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H24N4O/c1-15(2)14-27(3)23(28)18-10-9-17-11-21(25-20(17)12-18)22-19(13-24-26-22)16-7-5-4-6-8-16/h4-13,15,25H,14H2,1-3H3,(H,24,26) | 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 | 6.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length GSK3-beta assessed as inhibition of ATP consumption after 60 mins by luminescence assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50320967
(2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-14-24-11-18(29)12-25-23(30)17-8-7-16-9-21(27-20(16)10-17)22-19(13-26-28-22)15-5-3-2-4-6-15/h2-11,13-14,27H,12H2,1H3,(H,25,30)(H,26,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged recombinant INSR catalytic domain expressed in baculovirus-infected Sf21 cells after 80 mins by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50320968
(2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-18(9-10-26-29)13-24-23(30)17-8-7-16-11-21(27-20(16)12-17)22-19(14-25-28-22)15-5-3-2-4-6-15/h2-12,14,27H,13H2,1H3,(H,24,30)(H,25,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged recombinant INSR catalytic domain expressed in baculovirus-infected Sf21 cells after 80 mins by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320982
(2-(5-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES FC(F)(F)c1ccc(CNC(=O)c2ccc3cc([nH]c3c2)-c2cc([nH]n2)-c2ccccc2)cn1 Show InChI InChI=1S/C25H18F3N5O/c26-25(27,28)23-9-6-15(13-29-23)14-30-24(34)18-8-7-17-10-21(31-19(17)11-18)22-12-20(32-33-22)16-4-2-1-3-5-16/h1-13,31H,14H2,(H,30,34)(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50320969
(CHEMBL1164353 | Phenyl-1H-pyrazol-3-yl)-1H-indole-...)Show SMILES CC(C)CN(C)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H24N4O/c1-15(2)14-27(3)23(28)18-10-9-17-11-21(25-20(17)12-18)22-19(13-24-26-22)16-7-5-4-6-8-16/h4-13,15,25H,14H2,1-3H3,(H,24,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged recombinant INSR catalytic domain expressed in baculovirus-infected Sf21 cells after 80 mins by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50320989
(2-(5-Benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C24H22N6O/c1-30-20(9-10-26-30)15-25-24(31)18-8-7-17-12-22(27-21(17)13-18)23-14-19(28-29-23)11-16-5-3-2-4-6-16/h2-10,12-14,27H,11,15H2,1H3,(H,25,31)(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length CDK2/Cyclin E after 40 mins by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50320989
(2-(5-Benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C24H22N6O/c1-30-20(9-10-26-30)15-25-24(31)18-8-7-17-12-22(27-21(17)13-18)23-14-19(28-29-23)11-16-5-3-2-4-6-16/h2-10,12-14,27H,11,15H2,1H3,(H,25,31)(H,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged recombinant INSR catalytic domain expressed in baculovirus-infected Sf21 cells after 80 mins by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320990
(3-[(4-Methoxy-benzylamino)-methyl]-2-(4-phenyl-1Hp...)Show SMILES COc1ccc(CNCc2c([nH]c3cc(ccc23)C(=O)N(C)CC(C)C)-c2n[nH]cc2-c2ccccc2)cc1 Show InChI InChI=1S/C32H35N5O2/c1-21(2)20-37(3)32(38)24-12-15-26-28(18-33-17-22-10-13-25(39-4)14-11-22)30(35-29(26)16-24)31-27(19-34-36-31)23-8-6-5-7-9-23/h5-16,19,21,33,35H,17-18,20H2,1-4H3,(H,34,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50320978
(2-(5-Benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C24H22N6O/c1-30-15-25-13-20(30)14-26-24(31)18-8-7-17-10-22(27-21(17)11-18)23-12-19(28-29-23)9-16-5-3-2-4-6-16/h2-8,10-13,15,27H,9,14H2,1H3,(H,26,31)(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length CDK2/Cyclin E after 40 mins by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320985
(2-(5-Benzyl-1H-pyrazol-3-yl)-3-[(4-hydroxybutylami...)Show SMILES CNC(=O)c1ccc2c(CNCCCCO)c([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C25H29N5O2/c1-26-25(32)18-9-10-20-21(16-27-11-5-6-12-31)24(28-22(20)14-18)23-15-19(29-30-23)13-17-7-3-2-4-8-17/h2-4,7-10,14-15,27-28,31H,5-6,11-13,16H2,1H3,(H,26,32)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320986
(3-[(3-Hydroxy-propylamino)-methyl]-2-(4-phenyl-1Hp...)Show SMILES CC(C)CN(C)C(=O)c1ccc2c(CNCCCO)c([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C27H33N5O2/c1-18(2)17-32(3)27(34)20-10-11-21-23(15-28-12-7-13-33)25(30-24(21)14-20)26-22(16-29-31-26)19-8-5-4-6-9-19/h4-6,8-11,14,16,18,28,30,33H,7,12-13,15,17H2,1-3H3,(H,29,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50320979
(2-(5-Benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...)Show SMILES CC(C)CN(C)C(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C24H26N4O/c1-16(2)15-28(3)24(29)19-10-9-18-12-22(25-21(18)13-19)23-14-20(26-27-23)11-17-7-5-4-6-8-17/h4-10,12-14,16,25H,11,15H2,1-3H3,(H,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged recombinant INSR catalytic domain expressed in baculovirus-infected Sf21 cells after 80 mins by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50320993
(3-Hydroxymethyl-2-(4-phenyl-1H-pyrazol-3-yl)-1Hind...)Show SMILES CC(C)CN(C)C(=O)c1ccc2c(CO)c([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C24H26N4O2/c1-15(2)13-28(3)24(30)17-9-10-18-20(14-29)22(26-21(18)11-17)23-19(12-25-27-23)16-7-5-4-6-8-16/h4-12,15,26,29H,13-14H2,1-3H3,(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nycomed Pharma Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay |
Bioorg Med Chem 18: 4547-59 (2010)
Article DOI: 10.1016/j.bmc.2010.04.056
BindingDB Entry DOI: 10.7270/Q2N29X4K |
More data for this
Ligand-Target Pair | |
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