Found 56 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 |
|---|
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50302042
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50302036
(5-(5-((4-ethylpiperazin-1-yl)methyl)benzofuran-2-y...)Show SMILES CCN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C30H30N6O/c1-3-35-10-12-36(13-11-35)19-21-4-7-28-22(14-21)15-29(37-28)25-18-32-17-23(16-31)30(25)34-26-5-6-27-24(20(26)2)8-9-33-27/h4-9,14-15,17-18,33H,3,10-13,19H2,1-2H3,(H,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50302047
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)Show SMILES CN1CCN(Cc2ccc3sc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C29H28N6S/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.670 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50302045
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-(piperidin-1-...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCCCC4)ccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C29H27N5O/c1-19-23-9-10-32-26(23)7-6-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(5-8-27(21)35-28)18-34-11-3-2-4-12-34/h5-10,13-14,16-17,32H,2-4,11-12,18H2,1H3,(H,31,33) | 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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50302051
(5-(5-((cyclohexylamino)methyl)benzofuran-2-yl)-4-(...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CNC4CCCCC4)ccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C30H29N5O/c1-19-24-11-12-33-27(24)9-8-26(19)35-30-22(15-31)17-32-18-25(30)29-14-21-13-20(7-10-28(21)36-29)16-34-23-5-3-2-4-6-23/h7-14,17-18,23,33-34H,2-6,16H2,1H3,(H,32,35) | 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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50302035
(5-(5-((2,3-dihydroxypropylamino)methyl)benzofuran-...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CNCC(O)CO)ccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C27H25N5O3/c1-16-21-6-7-31-24(21)4-3-23(16)32-27-19(10-28)12-30-14-22(27)26-9-18-8-17(2-5-25(18)35-26)11-29-13-20(34)15-33/h2-9,12,14,20,29,31,33-34H,11,13,15H2,1H3,(H,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50302033
(5-(5-((2-hydroxyethylamino)methyl)benzofuran-2-yl)...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CNCCO)ccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C26H23N5O2/c1-16-20-6-7-30-23(20)4-3-22(16)31-26-19(12-27)14-29-15-21(26)25-11-18-10-17(13-28-8-9-32)2-5-24(18)33-25/h2-7,10-11,14-15,28,30,32H,8-9,13H2,1H3,(H,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50302043
(5-(benzofuran-2-yl)-4-(4-methyl-1H-indol-5-ylamino...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3ccccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C23H16N4O/c1-14-17-8-9-26-20(17)7-6-19(14)27-23-16(11-24)12-25-13-18(23)22-10-15-4-2-3-5-21(15)28-22/h2-10,12-13,26H,1H3,(H,25,27) | 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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50302034
(5-(5-((3-hydroxypropylamino)methyl)benzofuran-2-yl...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CNCCCO)ccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C27H25N5O2/c1-17-21-7-9-31-24(21)5-4-23(17)32-27-20(13-28)15-30-16-22(27)26-12-19-11-18(3-6-25(19)34-26)14-29-8-2-10-33/h3-7,9,11-12,15-16,29,31,33H,2,8,10,14H2,1H3,(H,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50302037
(5-(5-((4-(2-(dimethylamino)ethyl)piperazin-1-yl)me...)Show SMILES CN(C)CCN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C32H35N7O/c1-22-26-8-9-35-29(26)6-5-28(22)36-32-25(18-33)19-34-20-27(32)31-17-24-16-23(4-7-30(24)40-31)21-39-14-12-38(13-15-39)11-10-37(2)3/h4-9,16-17,19-20,35H,10-15,21H2,1-3H3,(H,34,36) | 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 | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50302046
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-(piperidin-1-...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCCCC4)ccc3s2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C29H27N5S/c1-19-23-9-10-32-26(23)7-6-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(5-8-27(21)35-28)18-34-11-3-2-4-12-34/h5-10,13-14,16-17,32H,2-4,11-12,18H2,1H3,(H,31,33) | 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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C epsilon type
(Homo sapiens (Human)) | BDBM50302042
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33) | 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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCepsilon by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50302049
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-(pyrrolidin-1...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCCC4)ccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C28H25N5O/c1-18-22-8-9-31-25(22)6-5-24(18)32-28-21(14-29)15-30-16-23(28)27-13-20-12-19(4-7-26(20)34-27)17-33-10-2-3-11-33/h4-9,12-13,15-16,31H,2-3,10-11,17H2,1H3,(H,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50302040
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-(piperazin-1-...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCNCC4)ccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C28H26N6O/c1-18-22-6-7-32-25(22)4-3-24(18)33-28-21(14-29)15-31-16-23(28)27-13-20-12-19(2-5-26(20)35-27)17-34-10-8-30-9-11-34/h2-7,12-13,15-16,30,32H,8-11,17H2,1H3,(H,31,33) | 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 | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50302046
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-(piperidin-1-...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCCCC4)ccc3s2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C29H27N5S/c1-19-23-9-10-32-26(23)7-6-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(5-8-27(21)35-28)18-34-11-3-2-4-12-34/h5-10,13-14,16-17,32H,2-4,11-12,18H2,1H3,(H,31,33) | 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 | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50302040
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-(piperazin-1-...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCNCC4)ccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C28H26N6O/c1-18-22-6-7-32-25(22)4-3-24(18)33-28-21(14-29)15-31-16-23(28)27-13-20-12-19(2-5-26(20)35-27)17-34-10-8-30-9-11-34/h2-7,12-13,15-16,30,32H,8-11,17H2,1H3,(H,31,33) | 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 | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50302041
(5-(5-((4-methoxypiperazin-1-yl)methyl)benzofuran-2...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CC[N+](C)([O-])CC4)ccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C29H28N6O2/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)37-28)18-34-9-11-35(2,36)12-10-34/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33) | 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 | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50302048
(5-(5-((dimethylamino)methyl)benzofuran-2-yl)-4-(4-...)Show SMILES CN(C)Cc1ccc2oc(cc2c1)-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1C Show InChI InChI=1S/C26H23N5O/c1-16-20-8-9-29-23(20)6-5-22(16)30-26-19(12-27)13-28-14-21(26)25-11-18-10-17(15-31(2)3)4-7-24(18)32-25/h4-11,13-14,29H,15H2,1-3H3,(H,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50302047
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)Show SMILES CN1CCN(Cc2ccc3sc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C29H28N6S/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33) | 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 | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50302051
(5-(5-((cyclohexylamino)methyl)benzofuran-2-yl)-4-(...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CNC4CCCCC4)ccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C30H29N5O/c1-19-24-11-12-33-27(24)9-8-26(19)35-30-22(15-31)17-32-18-25(30)29-14-21-13-20(7-10-28(21)36-29)16-34-23-5-3-2-4-6-23/h7-14,17-18,23,33-34H,2-6,16H2,1H3,(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50302050
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-(morpholinome...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCOCC4)ccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C28H25N5O2/c1-18-22-6-7-31-25(22)4-3-24(18)32-28-21(14-29)15-30-16-23(28)27-13-20-12-19(2-5-26(20)35-27)17-33-8-10-34-11-9-33/h2-7,12-13,15-16,31H,8-11,17H2,1H3,(H,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50302039
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-(pyridin-...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCN(CC4)c4ccccn4)ccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C33H29N7O/c1-22-26-9-11-36-29(26)7-6-28(22)38-33-25(18-34)19-35-20-27(33)31-17-24-16-23(5-8-30(24)41-31)21-39-12-14-40(15-13-39)32-4-2-3-10-37-32/h2-11,16-17,19-20,36H,12-15,21H2,1H3,(H,35,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50302033
(5-(5-((2-hydroxyethylamino)methyl)benzofuran-2-yl)...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CNCCO)ccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C26H23N5O2/c1-16-20-6-7-30-23(20)4-3-22(16)31-26-19(12-27)14-29-15-21(26)25-11-18-10-17(13-28-8-9-32)2-5-24(18)33-25/h2-7,10-11,14-15,28,30,32H,8-9,13H2,1H3,(H,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50302038
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-(methylsu...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCN(CC4)S(C)(=O)=O)ccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C29H28N6O3S/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)38-28)18-34-9-11-35(12-10-34)39(2,36)37/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Mus musculus) | BDBM50302040
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-(piperazin-1-...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCNCC4)ccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C28H26N6O/c1-18-22-6-7-32-25(22)4-3-24(18)33-28-21(14-29)15-31-16-23(28)27-13-20-12-19(2-5-26(20)35-27)17-34-10-8-30-9-11-34/h2-7,12-13,15-16,30,32H,8-11,17H2,1H3,(H,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCtheta in C57BL/6 mouse T cells assessed as inhibition of anti-CD3 and anti-CD28-induced IL2 production after 20 to 24 hrs by ELISA |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50302035
(5-(5-((2,3-dihydroxypropylamino)methyl)benzofuran-...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CNCC(O)CO)ccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C27H25N5O3/c1-16-21-6-7-31-24(21)4-3-23(16)32-27-19(10-28)12-30-14-22(27)26-9-18-8-17(2-5-25(18)35-26)11-29-13-20(34)15-33/h2-9,12,14,20,29,31,33-34H,11,13,15H2,1H3,(H,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50302036
(5-(5-((4-ethylpiperazin-1-yl)methyl)benzofuran-2-y...)Show SMILES CCN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C30H30N6O/c1-3-35-10-12-36(13-11-35)19-21-4-7-28-22(14-21)15-29(37-28)25-18-32-17-23(16-31)30(25)34-26-5-6-27-24(20(26)2)8-9-33-27/h4-9,14-15,17-18,33H,3,10-13,19H2,1-2H3,(H,32,34) | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50302042
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50302037
(5-(5-((4-(2-(dimethylamino)ethyl)piperazin-1-yl)me...)Show SMILES CN(C)CCN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C32H35N7O/c1-22-26-8-9-35-29(26)6-5-28(22)36-32-25(18-33)19-34-20-27(32)31-17-24-16-23(4-7-30(24)40-31)21-39-14-12-38(13-15-39)11-10-37(2)3/h4-9,16-17,19-20,35H,10-15,21H2,1-3H3,(H,34,36) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Mus musculus) | BDBM50302042
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCtheta in C57BL/6 mouse T cells assessed as inhibition of anti-CD3 and anti-CD28-induced IL2 production after 20 to 24 hrs by ELISA |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50302034
(5-(5-((3-hydroxypropylamino)methyl)benzofuran-2-yl...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CNCCCO)ccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C27H25N5O2/c1-17-21-7-9-31-24(21)5-4-23(17)32-27-20(13-28)15-30-16-22(27)26-12-19-11-18(3-6-25(19)34-26)14-29-8-2-10-33/h3-7,9,11-12,15-16,29,31,33H,2,8,10,14H2,1H3,(H,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50302044
(5-(benzo[b]thiophen-2-yl)-4-(4-methyl-1H-indol-5-y...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3ccccc3s2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C23H16N4S/c1-14-17-8-9-26-20(17)7-6-19(14)27-23-16(11-24)12-25-13-18(23)22-10-15-4-2-3-5-21(15)28-22/h2-10,12-13,26H,1H3,(H,25,27) | 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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50302045
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-(piperidin-1-...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCCCC4)ccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C29H27N5O/c1-19-23-9-10-32-26(23)7-6-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(5-8-27(21)35-28)18-34-11-3-2-4-12-34/h5-10,13-14,16-17,32H,2-4,11-12,18H2,1H3,(H,31,33) | 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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C eta type
(Homo sapiens (Human)) | BDBM50302042
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCeta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50302049
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-(pyrrolidin-1...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCCC4)ccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C28H25N5O/c1-18-22-8-9-31-25(22)6-5-24(18)32-28-21(14-29)15-30-16-23(28)27-13-20-12-19(4-7-26(20)34-27)17-33-10-2-3-11-33/h4-9,12-13,15-16,31H,2-3,10-11,17H2,1H3,(H,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50302048
(5-(5-((dimethylamino)methyl)benzofuran-2-yl)-4-(4-...)Show SMILES CN(C)Cc1ccc2oc(cc2c1)-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1C Show InChI InChI=1S/C26H23N5O/c1-16-20-8-9-29-23(20)6-5-22(16)30-26-19(12-27)13-28-14-21(26)25-11-18-10-17(15-31(2)3)4-7-24(18)32-25/h4-11,13-14,29H,15H2,1-3H3,(H,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50302043
(5-(benzofuran-2-yl)-4-(4-methyl-1H-indol-5-ylamino...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3ccccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C23H16N4O/c1-14-17-8-9-26-20(17)7-6-19(14)27-23-16(11-24)12-25-13-18(23)22-10-15-4-2-3-5-21(15)28-22/h2-10,12-13,26H,1H3,(H,25,27) | 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 | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50302041
(5-(5-((4-methoxypiperazin-1-yl)methyl)benzofuran-2...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CC[N+](C)([O-])CC4)ccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C29H28N6O2/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)37-28)18-34-9-11-35(2,36)12-10-34/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33) | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50302050
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-(morpholinome...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCOCC4)ccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C28H25N5O2/c1-18-22-6-7-31-25(22)4-3-24(18)32-28-21(14-29)15-30-16-23(28)27-13-20-12-19(2-5-26(20)35-27)17-33-8-10-34-11-9-33/h2-7,12-13,15-16,31H,8-11,17H2,1H3,(H,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 121 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50302038
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-(methylsu...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCN(CC4)S(C)(=O)=O)ccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C29H28N6O3S/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)38-28)18-34-9-11-35(12-10-34)39(2,36)37/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33) | 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 | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50302039
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-(pyridin-...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCN(CC4)c4ccccn4)ccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C33H29N7O/c1-22-26-9-11-36-29(26)7-6-28(22)38-33-25(18-34)19-35-20-27(33)31-17-24-16-23(5-8-30(24)41-31)21-39-12-14-40(15-13-39)32-4-2-3-10-37-32/h2-11,16-17,19-20,36H,12-15,21H2,1H3,(H,35,38) | 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 | 149 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50302044
(5-(benzo[b]thiophen-2-yl)-4-(4-methyl-1H-indol-5-y...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3ccccc3s2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C23H16N4S/c1-14-17-8-9-26-20(17)7-6-19(14)27-23-16(11-24)12-25-13-18(23)22-10-15-4-2-3-5-21(15)28-22/h2-10,12-13,26H,1H3,(H,25,27) | 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 | 154 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCdelta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50302042
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Mus musculus) | BDBM50302041
(5-(5-((4-methoxypiperazin-1-yl)methyl)benzofuran-2...)Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CC[N+](C)([O-])CC4)ccc3o2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C29H28N6O2/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)37-28)18-34-9-11-35(2,36)12-10-34/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCtheta in C57BL/6 mouse T cells assessed as inhibition of anti-CD3 and anti-CD28-induced IL2 production after 20 to 24 hrs by ELISA |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50302042
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(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 | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Lyn |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C beta type
(Homo sapiens (Human)) | BDBM50302042
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33) | 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 | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCbeta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50302042
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33) | 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 | >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of MK2 |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50302042
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33) | 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 | >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50302042
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33) | PDB
UniProtKB/SwissProt
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 |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50302042
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
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 |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50302042
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
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 |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50302042
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50302042
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50302042
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50302042
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
Protein kinase C zeta type
(Homo sapiens (Human)) | BDBM50302042
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpip...)Show SMILES CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C29H28N6O/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)36-28)18-35-11-9-34(2)10-12-35/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCzeta by IMAP fluorescence polarization technology |
Bioorg Med Chem Lett 19: 5799-802 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q |
More data for this
Ligand-Target Pair | |
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