Found 83 hits with Last Name = 'wuest' and Initial = 'm' 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 |
|---|
rRNA adenine N-6-methyltransferase
(Bacillus subtilis) | BDBM50081279
(6-(3-Amino-phenyl)-N-indan-2-yl-[1,3,5]triazine-2,...)Show InChI InChI=1S/C18H18N6/c19-14-7-3-6-13(8-14)16-22-17(20)24-18(23-16)21-15-9-11-4-1-2-5-12(11)10-15/h1-8,15H,9-10,19H2,(H3,20,21,22,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
rRNA adenine N-6-methyltransferase
(Bacillus subtilis) | BDBM50081297
(1-[4-Amino-6-(indan-2-ylamino)-[1,3,5]triazin-2-yl...)Show SMILES Nc1nc(NC2Cc3ccccc3C2)nc(n1)N1CCC(CC1)C(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C28H32N8O/c29-26-33-27(32-22-15-19-5-1-2-6-20(19)16-22)35-28(34-26)36-13-10-18(11-14-36)25(37)30-12-9-21-17-31-24-8-4-3-7-23(21)24/h1-8,17-18,22,31H,9-16H2,(H,30,37)(H3,29,32,33,34,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50366159
(CHEMBL1957450)Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C17H22N4O5S/c18-11(5-9-6-19-12-4-2-1-3-10(9)12)15(23)21-14(8-27)16(24)20-13(7-22)17(25)26/h1-4,6,11,13-14,19,22,27H,5,7-8,18H2,(H,20,24)(H,21,23)(H,25,26)/t11-,13-,14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of COX2 by ELISA |
Bioorg Med Chem 20: 2221-6 (2012)
Article DOI: 10.1016/j.bmc.2012.02.021
BindingDB Entry DOI: 10.7270/Q2RV0P5K |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant COX2 by fluorescence assay |
Bioorg Med Chem 20: 2221-6 (2012)
Article DOI: 10.1016/j.bmc.2012.02.021
BindingDB Entry DOI: 10.7270/Q2RV0P5K |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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 | |
23S rRNA methylase leader peptide
(Escherichia coli) | BDBM50291842
(CHEMBL4165736)Show SMILES CC(C)c1ccc(NC(=S)N\N=C\c2cc(Cl)cc(Cl)c2O)cc1 Show InChI InChI=1S/C17H17Cl2N3OS/c1-10(2)11-3-5-14(6-4-11)21-17(24)22-20-9-12-7-13(18)8-15(19)16(12)23/h3-10,23H,1-2H3,(H2,21,22,24)/b20-9+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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 | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50366157
(CHEMBL1955883)Show SMILES OC[C@H](NC(=O)[C@H](CS)NC(=O)c1ccc(F)cc1)C(O)=O |r| Show InChI InChI=1S/C13H15FN2O5S/c14-8-3-1-7(2-4-8)11(18)16-10(6-22)12(19)15-9(5-17)13(20)21/h1-4,9-10,17,22H,5-6H2,(H,15,19)(H,16,18)(H,20,21)/t9-,10-/m0/s1 | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of ovine COX1 by fluorescence assay |
Bioorg Med Chem 20: 2221-6 (2012)
Article DOI: 10.1016/j.bmc.2012.02.021
BindingDB Entry DOI: 10.7270/Q2RV0P5K |
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
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| 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 | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50366159
(CHEMBL1957450)Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C17H22N4O5S/c18-11(5-9-6-19-12-4-2-1-3-10(9)12)15(23)21-14(8-27)16(24)20-13(7-22)17(25)26/h1-4,6,11,13-14,19,22,27H,5,7-8,18H2,(H,20,24)(H,21,23)(H,25,26)/t11-,13-,14-/m0/s1 | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of ovine COX1 by fluorescence assay |
Bioorg Med Chem 20: 2221-6 (2012)
Article DOI: 10.1016/j.bmc.2012.02.021
BindingDB Entry DOI: 10.7270/Q2RV0P5K |
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 | |
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 | |
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 | |
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 | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50366167
(CHEMBL1957568)Show SMILES OC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(O)=O |r| Show InChI InChI=1S/C22H24FN3O6S/c23-15-8-6-14(7-9-15)19(28)24-16(10-13-4-2-1-3-5-13)20(29)26-18(12-33)21(30)25-17(11-27)22(31)32/h1-9,16-18,27,33H,10-12H2,(H,24,28)(H,25,30)(H,26,29)(H,31,32)/t16-,17-,18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant COX2 by fluorescence assay |
Bioorg Med Chem 20: 2221-6 (2012)
Article DOI: 10.1016/j.bmc.2012.02.021
BindingDB Entry DOI: 10.7270/Q2RV0P5K |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50366158
(CHEMBL1957571)Show SMILES OC(=O)C[C@H](NC(=O)[C@H](CS)NC(=O)c1ccc(F)cc1)C(O)=O |r| Show InChI InChI=1S/C14H15FN2O6S/c15-8-3-1-7(2-4-8)12(20)17-10(6-24)13(21)16-9(14(22)23)5-11(18)19/h1-4,9-10,24H,5-6H2,(H,16,21)(H,17,20)(H,18,19)(H,22,23)/t9-,10-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant COX2 by fluorescence assay |
Bioorg Med Chem 20: 2221-6 (2012)
Article DOI: 10.1016/j.bmc.2012.02.021
BindingDB Entry DOI: 10.7270/Q2RV0P5K |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50366157
(CHEMBL1955883)Show SMILES OC[C@H](NC(=O)[C@H](CS)NC(=O)c1ccc(F)cc1)C(O)=O |r| Show InChI InChI=1S/C13H15FN2O5S/c14-8-3-1-7(2-4-8)11(18)16-10(6-22)12(19)15-9(5-17)13(20)21/h1-4,9-10,17,22H,5-6H2,(H,15,19)(H,16,18)(H,20,21)/t9-,10-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant COX2 by fluorescence assay |
Bioorg Med Chem 20: 2221-6 (2012)
Article DOI: 10.1016/j.bmc.2012.02.021
BindingDB Entry DOI: 10.7270/Q2RV0P5K |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | PDB
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| Purchase
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PC cid
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PDB
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Patents
Similars
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of ovine COX1 by fluorescence assay |
Bioorg Med Chem 20: 2221-6 (2012)
Article DOI: 10.1016/j.bmc.2012.02.021
BindingDB Entry DOI: 10.7270/Q2RV0P5K |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50366158
(CHEMBL1957571)Show SMILES OC(=O)C[C@H](NC(=O)[C@H](CS)NC(=O)c1ccc(F)cc1)C(O)=O |r| Show InChI InChI=1S/C14H15FN2O6S/c15-8-3-1-7(2-4-8)12(20)17-10(6-24)13(21)16-9(14(22)23)5-11(18)19/h1-4,9-10,24H,5-6H2,(H,16,21)(H,17,20)(H,18,19)(H,22,23)/t9-,10-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description
Inhibition of ovine COX1 by fluorescence assay |
Bioorg Med Chem 20: 2221-6 (2012)
Article DOI: 10.1016/j.bmc.2012.02.021
BindingDB Entry DOI: 10.7270/Q2RV0P5K |
More data for this
Ligand-Target Pair | |
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