Found 3202 hits with Last Name = 'pierard' and Initial = 'f' 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 |
|---|
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50427363
(CHEMBL2326002)Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1Cl |r| Show InChI InChI=1S/C20H24ClFN6O/c1-11(2)20(3,29)15-10-28(8-7-23-15)19-13(21)9-14(22)17(25-19)16-12-5-4-6-24-18(12)27-26-16/h4-6,9,11,15,23,29H,7-8,10H2,1-3H3,(H,24,26,27)/t15-,20+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis... |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50427367
(CHEMBL2325998)Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1O |r| Show InChI InChI=1S/C20H25FN6O2/c1-11(2)20(3,29)15-10-27(8-7-22-15)19-14(28)9-13(21)17(24-19)16-12-5-4-6-23-18(12)26-25-16/h4-6,9,11,15,22,28-29H,7-8,10H2,1-3H3,(H,23,25,26)/t15-,20+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis... |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50427365
(CHEMBL2326000)Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1CO |r| Show InChI InChI=1S/C21H27FN6O2/c1-12(2)21(3,30)16-10-28(8-7-23-16)20-13(11-29)9-15(22)18(25-20)17-14-5-4-6-24-19(14)27-26-17/h4-6,9,12,16,23,29-30H,7-8,10-11H2,1-3H3,(H,24,26,27)/t16-,21+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis... |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50427364
(CHEMBL2326001)Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1F |r| Show InChI InChI=1S/C20H24F2N6O/c1-11(2)20(3,29)15-10-28(8-7-23-15)19-14(22)9-13(21)17(25-19)16-12-5-4-6-24-18(12)27-26-16/h4-6,9,11,15,23,29H,7-8,10H2,1-3H3,(H,24,26,27)/t15-,20+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis... |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM350085
(3-[3-[4-[dideuterio(methylamino)methyl]phenyl]isox...)Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C Show InChI InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27) | PDB
Reactome pathway
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MCE
PC cid
PC sid
UniChem
| US Patent
| 0.148 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
VERTEX PHARMACEUTICALS INCORPORATED
US Patent
| Assay Description
Compounds can be screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays are carried out in a mixt... |
US Patent US10822331 (2020)
BindingDB Entry DOI: 10.7270/Q2V98C59 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM350085
(3-[3-[4-[dideuterio(methylamino)methyl]phenyl]isox...)Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C Show InChI InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
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| Purchase
MCE
PC cid
PC sid
UniChem
| US Patent
| 0.148 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Incorporated
US Patent
| Assay Description
Compounds can be screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays are carried out in a mixt... |
US Patent US10208027 (2019)
BindingDB Entry DOI: 10.7270/Q27S7QX5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM350085
(3-[3-[4-[dideuterio(methylamino)methyl]phenyl]isox...)Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C Show InChI InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| US Patent
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
VERTEX PHARMACEUTICALS INCORPORATED
US Patent
| Assay Description
Compounds can be screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays are carried out in a mixt... |
US Patent US10822331 (2020)
BindingDB Entry DOI: 10.7270/Q2V98C59 |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50427370
(CHEMBL2326007)Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12 |r| Show InChI InChI=1S/C20H25FN6O/c1-12(2)20(3,28)15-11-27(10-9-22-15)16-7-6-14(21)18(24-16)17-13-5-4-8-23-19(13)26-25-17/h4-8,12,15,22,28H,9-11H2,1-3H3,(H,23,25,26)/t15-,20+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis... |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50525600
(CHEMBL4469412)Show InChI InChI=1S/C18H18N4/c1-3-8-18(2,12-19)14-6-4-5-13(10-14)15-7-9-20-17-16(15)11-21-22-17/h1,4-7,9-11H,8,12,19H2,2H3,(H,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 6... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134
BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM350085
(3-[3-[4-[dideuterio(methylamino)methyl]phenyl]isox...)Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C Show InChI InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| US Patent
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Incorporated
US Patent
| Assay Description
Compounds can be screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays are carried out in a mixt... |
US Patent US10208027 (2019)
BindingDB Entry DOI: 10.7270/Q27S7QX5 |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50525603
(CHEMBL4528271)Show InChI InChI=1S/C17H19ClN4/c1-3-17(2,10-19)12-6-4-5-11(9-12)13-7-8-20-16-14(13)15(18)21-22-16/h4-9H,3,10,19H2,1-2H3,(H,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 6... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134
BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50525602
(CHEMBL4569479)Show SMILES CCC(C)(CN)c1cccc(c1)-c1ccnc2[nH]nc(c12)C(F)(F)F Show InChI InChI=1S/C18H19F3N4/c1-3-17(2,10-22)12-6-4-5-11(9-12)13-7-8-23-16-14(13)15(24-25-16)18(19,20)21/h4-9H,3,10,22H2,1-2H3,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 6... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134
BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A by coupled assay |
Bioorg Med Chem Lett 19: 3586-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50277679
(CHEMBL484006 | N-(4-(4-(4-tert-butylpiperazin-1-yl...)Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(CC2)C(C)(C)C)cc1 Show InChI InChI=1S/C25H34N8OS/c1-6-23(34)26-18-7-9-19(10-8-18)35-24-28-20(27-21-15-17(2)30-31-21)16-22(29-24)32-11-13-33(14-12-32)25(3,4)5/h7-10,15-16H,6,11-14H2,1-5H3,(H,26,34)(H2,27,28,29,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-B by time dependent kinetic study |
Bioorg Med Chem Lett 19: 3586-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM350085
(3-[3-[4-[dideuterio(methylamino)methyl]phenyl]isox...)Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C Show InChI InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27) | PDB
Reactome pathway
UniProtKB/SwissProt
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| Purchase
MCE
PC cid
PC sid
UniChem
| US Patent
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Incorporated
US Patent
| Assay Description
Compounds can be screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays are carried out in a mixt... |
US Patent US10208027 (2019)
BindingDB Entry DOI: 10.7270/Q27S7QX5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM350085
(3-[3-[4-[dideuterio(methylamino)methyl]phenyl]isox...)Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C Show InChI InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27) | PDB
Reactome pathway
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| Purchase
MCE
PC cid
PC sid
UniChem
| US Patent
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Incorporated
US Patent
| Assay Description
Compounds can be screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays are carried out in a mixt... |
US Patent US10208027 (2019)
BindingDB Entry DOI: 10.7270/Q27S7QX5 |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50427374
(CHEMBL2326009)Show SMILES CC(C)[C@](C)(O)[C@@H]1CN(CCN1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12 |r| Show InChI InChI=1S/C20H25FN6O/c1-12(2)20(3,28)15-11-27(10-9-22-15)16-7-6-14(21)18(24-16)17-13-5-4-8-23-19(13)26-25-17/h4-8,12,15,22,28H,9-11H2,1-3H3,(H,23,25,26)/t15-,20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis... |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this
Ligand-Target Pair | |
Protein kinase C epsilon type
(Homo sapiens (Human)) | BDBM50427363
(CHEMBL2326002)Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1Cl |r| Show InChI InChI=1S/C20H24ClFN6O/c1-11(2)20(3,29)15-10-28(8-7-23-15)19-13(21)9-14(22)17(25-19)16-12-5-4-6-24-18(12)27-26-16/h4-6,9,11,15,23,29H,7-8,10H2,1-3H3,(H,24,26,27)/t15-,20+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PKC epsilon (unknown origin) |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50293671
(CHEMBL561421 | N-(4-(4-(5-cyclopropyl-1H-pyrazol-3...)Show SMILES CC(=O)Nc1ccc(Sc2nc(Nc3cc(n[nH]3)C3CC3)c3ccccc3n2)cc1 Show InChI InChI=1S/C22H20N6OS/c1-13(29)23-15-8-10-16(11-9-15)30-22-24-18-5-3-2-4-17(18)21(26-22)25-20-12-19(27-28-20)14-6-7-14/h2-5,8-12,14H,6-7H2,1H3,(H,23,29)(H2,24,25,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
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| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A by coupled assay |
Bioorg Med Chem Lett 19: 3586-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50293690
(CHEMBL564941 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1 Show InChI InChI=1S/C21H20N6OS/c1-3-19(28)22-14-8-10-15(11-9-14)29-21-23-17-7-5-4-6-16(17)20(25-21)24-18-12-13(2)26-27-18/h4-12H,3H2,1-2H3,(H,22,28)(H2,23,24,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A by coupled assay |
Bioorg Med Chem Lett 19: 3586-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50427366
(CHEMBL2325999)Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1C#N |r| Show InChI InChI=1S/C21H24FN7O/c1-12(2)21(3,30)16-11-29(8-7-24-16)20-13(10-23)9-15(22)18(26-20)17-14-5-4-6-25-19(14)28-27-17/h4-6,9,12,16,24,30H,7-8,11H2,1-3H3,(H,25,27,28)/t16-,21+/m0/s1 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis... |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50293699
(CHEMBL554941 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2ccccc2)cc1 Show InChI InChI=1S/C23H22N6OS/c1-3-22(30)24-17-9-11-18(12-10-17)31-23-25-19(16-7-5-4-6-8-16)14-20(27-23)26-21-13-15(2)28-29-21/h4-14H,3H2,1-2H3,(H,24,30)(H2,25,26,27,28,29) | PDB
MMDB
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Reactome pathway
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| CHEMBL
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UniChem
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| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A by coupled assay |
Bioorg Med Chem Lett 19: 3586-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50293686
(CHEMBL559900 | N-(5-methyl-1H-pyrazol-3-yl)-2-(nap...)Show SMILES Cc1cc(Nc2nc(Sc3ccc4ccccc4c3)nc3ccccc23)[nH]n1 Show InChI InChI=1S/C22H17N5S/c1-14-12-20(27-26-14)24-21-18-8-4-5-9-19(18)23-22(25-21)28-17-11-10-15-6-2-3-7-16(15)13-17/h2-13H,1H3,(H2,23,24,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A by coupled assay |
Bioorg Med Chem Lett 19: 3586-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50293669
(CHEMBL564449 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nc3ccccc23)[nH]n1 Show InChI InChI=1S/C22H20N6OS/c1-13-12-19(28-27-13)25-20-17-4-2-3-5-18(17)24-22(26-20)30-16-10-8-15(9-11-16)23-21(29)14-6-7-14/h2-5,8-12,14H,6-7H2,1H3,(H,23,29)(H2,24,25,26,27,28) | PDB
MMDB
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Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A by coupled assay |
Bioorg Med Chem Lett 19: 3586-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50277640
(CHEMBL485351 | N-(4-(4-(4-ethylpiperazin-1-yl)-6-(...)Show SMILES CCN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)CC)cc2)n1 Show InChI InChI=1S/C23H30N8OS/c1-4-22(32)24-17-6-8-18(9-7-17)33-23-26-19(25-20-14-16(3)28-29-20)15-21(27-23)31-12-10-30(5-2)11-13-31/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,24,32)(H2,25,26,27,28,29) | PDB
MMDB
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KEGG
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| CHEMBL
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UniChem
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| Article
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| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A by coupled assay |
Bioorg Med Chem Lett 19: 3586-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50293689
(CHEMBL549668 | N-methyl-N-(4-(4-(5-methyl-1H-pyraz...)Show SMILES CN(C(C)=O)c1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1 Show InChI InChI=1S/C21H20N6OS/c1-13-12-19(26-25-13)23-20-17-6-4-5-7-18(17)22-21(24-20)29-16-10-8-15(9-11-16)27(3)14(2)28/h4-12H,1-3H3,(H2,22,23,24,25,26) | PDB
MMDB
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Reactome pathway
KEGG
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| CHEMBL
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UniChem
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| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A by coupled assay |
Bioorg Med Chem Lett 19: 3586-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM350085
(3-[3-[4-[dideuterio(methylamino)methyl]phenyl]isox...)Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C Show InChI InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27) | PDB
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| US Patent
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
VERTEX PHARMACEUTICALS INCORPORATED
US Patent
| Assay Description
Compounds can be screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays are carried out in a mixt... |
US Patent US10822331 (2020)
BindingDB Entry DOI: 10.7270/Q2V98C59 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM350085
(3-[3-[4-[dideuterio(methylamino)methyl]phenyl]isox...)Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C Show InChI InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27) | PDB
Reactome pathway
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UniChem
| US Patent
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
VERTEX PHARMACEUTICALS INCORPORATED
US Patent
| Assay Description
Compounds can be screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays are carried out in a mixt... |
US Patent US10822331 (2020)
BindingDB Entry DOI: 10.7270/Q2V98C59 |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50525604
(CHEMBL4532737)Show InChI InChI=1S/C18H22N4/c1-4-18(3,11-19)14-7-5-6-13(10-14)15-8-9-20-17-16(15)12(2)21-22-17/h5-10H,4,11,19H2,1-3H3,(H,20,21,22) | PDB
MMDB
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Reactome pathway
KEGG
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| PC cid
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| Article
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| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 6... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134
BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50277678
(CHEMBL485186 | N-(4-(4-(4-cyclopropylpiperazin-1-y...)Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(CC2)C2CC2)cc1 Show InChI InChI=1S/C24H30N8OS/c1-3-23(33)25-17-4-8-19(9-5-17)34-24-27-20(26-21-14-16(2)29-30-21)15-22(28-24)32-12-10-31(11-13-32)18-6-7-18/h4-5,8-9,14-15,18H,3,6-7,10-13H2,1-2H3,(H,25,33)(H2,26,27,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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| Article
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| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A by coupled assay |
Bioorg Med Chem Lett 19: 3586-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50277679
(CHEMBL484006 | N-(4-(4-(4-tert-butylpiperazin-1-yl...)Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(CC2)C(C)(C)C)cc1 Show InChI InChI=1S/C25H34N8OS/c1-6-23(34)26-18-7-9-19(10-8-18)35-24-28-20(27-21-15-17(2)30-31-21)16-22(29-24)32-11-13-33(14-12-32)25(3,4)5/h7-10,15-16H,6,11-14H2,1-5H3,(H,26,34)(H2,27,28,29,30,31) | PDB
MMDB
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| CHEMBL
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UniChem
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| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A by coupled assay |
Bioorg Med Chem Lett 19: 3586-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50277639
(CHEMBL484609 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(C)CC2)cc1 Show InChI InChI=1S/C22H28N8OS/c1-4-21(31)23-16-5-7-17(8-6-16)32-22-25-18(24-19-13-15(2)27-28-19)14-20(26-22)30-11-9-29(3)10-12-30/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,31)(H2,24,25,26,27,28) | PDB
MMDB
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| CHEMBL
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| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A by coupled assay |
Bioorg Med Chem Lett 19: 3586-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50277586
(CHEMBL484951 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCCCC2)cc1 Show InChI InChI=1S/C22H27N7OS/c1-3-21(30)23-16-7-9-17(10-8-16)31-22-25-18(24-19-13-15(2)27-28-19)14-20(26-22)29-11-5-4-6-12-29/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,30)(H2,24,25,26,27,28) | PDB
MMDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A by coupled assay |
Bioorg Med Chem Lett 19: 3586-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50277637
(CHEMBL482778 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCOCC2)cc1 Show InChI InChI=1S/C21H25N7O2S/c1-3-20(29)22-15-4-6-16(7-5-15)31-21-24-17(23-18-12-14(2)26-27-18)13-19(25-21)28-8-10-30-11-9-28/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,29)(H2,23,24,25,26,27) | PDB
MMDB
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Reactome pathway
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| CHEMBL
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PC sid
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| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A by coupled assay |
Bioorg Med Chem Lett 19: 3586-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Aurora kinase B
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
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| PDB
Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-B by time dependent kinetic study |
Bioorg Med Chem Lett 19: 3586-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50293680
(2-(2,4-dichlorophenylthio)-N-(5-methyl-1H-pyrazol-...)Show SMILES Cc1cc(Nc2nc(Sc3ccc(Cl)cc3Cl)nc3ccccc23)[nH]n1 Show InChI InChI=1S/C18H13Cl2N5S/c1-10-8-16(25-24-10)22-17-12-4-2-3-5-14(12)21-18(23-17)26-15-7-6-11(19)9-13(15)20/h2-9H,1H3,(H2,21,22,23,24,25) | PDB
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| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A by coupled assay |
Bioorg Med Chem Lett 19: 3586-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50293687
(CHEMBL552033 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)Show SMILES Cc1cc(Nc2nc(Sc3ccc(NS(C)(=O)=O)cc3)nc3ccccc23)[nH]n1 Show InChI InChI=1S/C19H18N6O2S2/c1-12-11-17(24-23-12)21-18-15-5-3-4-6-16(15)20-19(22-18)28-14-9-7-13(8-10-14)25-29(2,26)27/h3-11,25H,1-2H3,(H2,20,21,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A by coupled assay |
Bioorg Med Chem Lett 19: 3586-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50293682
(2-(3,4-dichlorophenylthio)-N-(5-methyl-1H-pyrazol-...)Show SMILES Cc1cc(Nc2nc(Sc3ccc(Cl)c(Cl)c3)nc3ccccc23)[nH]n1 Show InChI InChI=1S/C18H13Cl2N5S/c1-10-8-16(25-24-10)22-17-12-4-2-3-5-15(12)21-18(23-17)26-11-6-7-13(19)14(20)9-11/h2-9H,1H3,(H2,21,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A by coupled assay |
Bioorg Med Chem Lett 19: 3586-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944 |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50525587
(CHEMBL4589844)Show SMILES NCC1(CCC1)c1cccc(c1)-c1ccnc2[nH]nc(c12)C(F)(F)F Show InChI InChI=1S/C18H17F3N4/c19-18(20,21)15-14-13(5-8-23-16(14)25-24-15)11-3-1-4-12(9-11)17(10-22)6-2-7-17/h1,3-5,8-9H,2,6-7,10,22H2,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 6... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134
BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50427382
(CHEMBL2326019)Show SMILES CC(C)C[C@H]1CN(CCN1)c1cccc(n1)-c1n[nH]c2ncccc12 |r| Show InChI InChI=1S/C19H24N6/c1-13(2)11-14-12-25(10-9-20-14)17-7-3-6-16(22-17)18-15-5-4-8-21-19(15)24-23-18/h3-8,13-14,20H,9-12H2,1-2H3,(H,21,23,24)/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis... |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50293698
(CHEMBL563682 | N-(4-(4-(azetidin-1-yl)-6-(5-methyl...)Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCC2)cc1 Show InChI InChI=1S/C20H23N7OS/c1-3-19(28)21-14-5-7-15(8-6-14)29-20-23-16(22-17-11-13(2)25-26-17)12-18(24-20)27-9-4-10-27/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,28)(H2,22,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A by coupled assay |
Bioorg Med Chem Lett 19: 3586-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50293693
(CHEMBL557279 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)Show SMILES CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2ccccc2)cc1 Show InChI InChI=1S/C22H20N6OS/c1-14-12-21(28-27-14)25-20-13-19(16-6-4-3-5-7-16)24-22(26-20)30-18-10-8-17(9-11-18)23-15(2)29/h3-13H,1-2H3,(H,23,29)(H2,24,25,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A by coupled assay |
Bioorg Med Chem Lett 19: 3586-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944 |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50525584
(CHEMBL4453941)Show InChI InChI=1S/C16H14N4/c1-16(2,10-17)14-5-3-4-13(20-14)11-6-8-18-15-12(11)7-9-19-15/h3-9H,1-2H3,(H,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 6... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134
BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50525596
(CHEMBL4590477)Show SMILES Cc1cc(cc(c1)C1(CN)CCC1)-c1ccnc2[nH]nc(c12)C(F)(F)F Show InChI InChI=1S/C19H19F3N4/c1-11-7-12(9-13(8-11)18(10-23)4-2-5-18)14-3-6-24-17-15(14)16(25-26-17)19(20,21)22/h3,6-9H,2,4-5,10,23H2,1H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 6... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134
BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50293700
(CHEMBL560630 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2ccncc2)cc1 Show InChI InChI=1S/C22H21N7OS/c1-3-21(30)24-16-4-6-17(7-5-16)31-22-25-18(15-8-10-23-11-9-15)13-19(27-22)26-20-12-14(2)28-29-20/h4-13H,3H2,1-2H3,(H,24,30)(H2,25,26,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| <3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A by coupled assay |
Bioorg Med Chem Lett 19: 3586-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50525584
(CHEMBL4453941)Show InChI InChI=1S/C16H14N4/c1-16(2,10-17)14-5-3-4-13(20-14)11-6-8-18-15-12(11)7-9-19-15/h3-9H,1-2H3,(H,18,19) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 (unknown origin) |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134
BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50525599
(CHEMBL4461370)Show InChI InChI=1S/C17H20N4/c1-3-17(2,11-18)13-6-4-5-12(9-13)14-7-8-19-16-15(14)10-20-21-16/h4-10H,3,11,18H2,1-2H3,(H,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 6... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134
BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50293679
(2-(2,3-dichlorophenylthio)-N-(5-methyl-1H-pyrazol-...)Show SMILES Cc1cc(Nc2nc(Sc3cccc(Cl)c3Cl)nc3ccccc23)[nH]n1 Show InChI InChI=1S/C18H13Cl2N5S/c1-10-9-15(25-24-10)22-17-11-5-2-3-7-13(11)21-18(23-17)26-14-8-4-6-12(19)16(14)20/h2-9H,1H3,(H2,21,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A by coupled assay |
Bioorg Med Chem Lett 19: 3586-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944 |
More data for this
Ligand-Target Pair | |
Protein kinase C eta type
(Homo sapiens (Human)) | BDBM50427363
(CHEMBL2326002)Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1Cl |r| Show InChI InChI=1S/C20H24ClFN6O/c1-11(2)20(3,29)15-10-28(8-7-23-15)19-13(21)9-14(22)17(25-19)16-12-5-4-6-24-18(12)27-26-16/h4-6,9,11,15,23,29H,7-8,10H2,1-3H3,(H,24,26,27)/t15-,20+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PKC eta (unknown origin) |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50277638
(CHEMBL482779 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCNCC2)cc1 Show InChI InChI=1S/C21H26N8OS/c1-3-20(30)23-15-4-6-16(7-5-15)31-21-25-17(24-18-12-14(2)27-28-18)13-19(26-21)29-10-8-22-9-11-29/h4-7,12-13,22H,3,8-11H2,1-2H3,(H,23,30)(H2,24,25,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A by coupled assay |
Bioorg Med Chem Lett 19: 3586-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944 |
More data for this
Ligand-Target Pair | |
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