Found 24 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50031360 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)) | BDBM50311954
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-m...)Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1 Show InChI InChI=1S/C29H30N6O2S/c1-20-25-11-12-31-28(25)10-9-27(20)33-29-23(18-30)19-32-21(2)26(29)8-7-22-5-4-6-24(17-22)38(36,37)35-15-13-34(3)14-16-35/h4-12,17,19,31H,13-16H2,1-3H3,(H,32,33)/b8-7+ | 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 | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCtheta |
Bioorg Med Chem Lett 19: 6575-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50311953
(4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-methylpipe...)Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1 Show InChI InChI=1S/C28H28N6O2S/c1-20-25-10-11-31-27(25)9-8-26(20)32-28-22(18-30-19-23(28)17-29)7-6-21-4-3-5-24(16-21)37(35,36)34-14-12-33(2)13-15-34/h3-11,16,18-19,31H,12-15H2,1-2H3,(H,30,32)/b7-6+ | 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 | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCtheta |
Bioorg Med Chem Lett 19: 6575-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50311955
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(pyr...)Show SMILES Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1\C=C\c1cccc(c1)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C28H27N5O2S/c1-19-24-12-13-30-27(24)11-10-26(19)32-28-22(17-29)18-31-20(2)25(28)9-8-21-6-5-7-23(16-21)36(34,35)33-14-3-4-15-33/h5-13,16,18,30H,3-4,14-15H2,1-2H3,(H,31,32)/b9-8+ | 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 PKCtheta |
Bioorg Med Chem Lett 19: 6575-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50311952
(4-(4-methyl-1H-indol-5-ylamino)-5-(3-(piperidin-1-...)Show SMILES Cc1c(Nc2c(\C=C\c3cccc(c3)S(=O)(=O)N3CCCCC3)cncc2C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C28H27N5O2S/c1-20-25-12-13-31-27(25)11-10-26(20)32-28-22(18-30-19-23(28)17-29)9-8-21-6-5-7-24(16-21)36(34,35)33-14-3-2-4-15-33/h5-13,16,18-19,31H,2-4,14-15H2,1H3,(H,30,32)/b9-8+ | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCtheta |
Bioorg Med Chem Lett 19: 6575-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50302529
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-(4-methylp...)Show SMILES CN1CCN(CCOc2ccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)cc2)CC1 Show InChI InChI=1S/C30H32N6O/c1-22-27-11-12-33-29(27)10-9-28(22)34-30-24(20-32-21-25(30)19-31)6-3-23-4-7-26(8-5-23)37-18-17-36-15-13-35(2)14-16-36/h3-12,20-21,33H,13-18H2,1-2H3,(H,32,34)/b6-3+ | 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 | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCtheta |
Bioorg Med Chem Lett 19: 6575-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50311962
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(4-((4-...)Show SMILES CN1CCN(CC1)S(=O)(=O)Cc1ccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1 Show InChI InChI=1S/C30H32N6O2S/c1-21-26-12-13-32-29(26)11-10-28(21)34-30-25(18-31)19-33-22(2)27(30)9-8-23-4-6-24(7-5-23)20-39(37,38)36-16-14-35(3)15-17-36/h4-13,19,32H,14-17,20H2,1-3H3,(H,33,34)/b9-8+ | 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 PKCtheta |
Bioorg Med Chem Lett 19: 6575-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50311963
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-((4-...)Show SMILES CN1CCN(CC1)S(=O)(=O)Cc1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1 Show InChI InChI=1S/C30H32N6O2S/c1-21-26-11-12-32-29(26)10-9-28(21)34-30-25(18-31)19-33-22(2)27(30)8-7-23-5-4-6-24(17-23)20-39(37,38)36-15-13-35(3)14-16-36/h4-12,17,19,32H,13-16,20H2,1-3H3,(H,33,34)/b8-7+ | 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 | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCtheta |
Bioorg Med Chem Lett 19: 6575-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50311956
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(pip...)Show SMILES Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1\C=C\c1cccc(c1)S(=O)(=O)N1CCCCC1 Show InChI InChI=1S/C29H29N5O2S/c1-20-25-13-14-31-28(25)12-11-27(20)33-29-23(18-30)19-32-21(2)26(29)10-9-22-7-6-8-24(17-22)37(35,36)34-15-4-3-5-16-34/h6-14,17,19,31H,3-5,15-16H2,1-2H3,(H,32,33)/b10-9+ | 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 | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCtheta |
Bioorg Med Chem Lett 19: 6575-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50311945
(4-(2-(5-cyano-4-(4-methyl-1H-indol-5-ylamino)pyrid...)Show SMILES Cc1c(Nc2c(\C=C\c3ccc(cc3)S(N)(=O)=O)cncc2C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C23H19N5O2S/c1-15-20-10-11-27-22(20)9-8-21(15)28-23-17(13-26-14-18(23)12-24)5-2-16-3-6-19(7-4-16)31(25,29)30/h2-11,13-14,27H,1H3,(H,26,28)(H2,25,29,30)/b5-2+ | 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 | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCtheta |
Bioorg Med Chem Lett 19: 6575-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50311951
(4-(4-methyl-1H-indol-5-ylamino)-5-(3-(pyrrolidin-1...)Show SMILES Cc1c(Nc2c(\C=C\c3cccc(c3)S(=O)(=O)N3CCCC3)cncc2C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C27H25N5O2S/c1-19-24-11-12-30-26(24)10-9-25(19)31-27-21(17-29-18-22(27)16-28)8-7-20-5-4-6-23(15-20)35(33,34)32-13-2-3-14-32/h4-12,15,17-18,30H,2-3,13-14H2,1H3,(H,29,31)/b8-7+ | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCtheta |
Bioorg Med Chem Lett 19: 6575-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50311965
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-(pyrrolidin-1...)Show SMILES Cc1c(Nc2c(\C=C\c3ccc(cc3)S(=O)(=O)N3CCCC3)cncc2C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C27H25N5O2S/c1-19-24-12-13-30-26(24)11-10-25(19)31-27-21(17-29-18-22(27)16-28)7-4-20-5-8-23(9-6-20)35(33,34)32-14-2-3-15-32/h4-13,17-18,30H,2-3,14-15H2,1H3,(H,29,31)/b7-4+ | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCtheta |
Bioorg Med Chem Lett 19: 6575-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50311961
(4-(4-methyl-1H-indol-5-ylamino)-5-(3-((4-methylpip...)Show SMILES CN1CCN(CC1)S(=O)(=O)Cc1cccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1 Show InChI InChI=1S/C29H30N6O2S/c1-21-26-10-11-32-28(26)9-8-27(21)33-29-24(18-31-19-25(29)17-30)7-6-22-4-3-5-23(16-22)20-38(36,37)35-14-12-34(2)13-15-35/h3-11,16,18-19,32H,12-15,20H2,1-2H3,(H,31,33)/b7-6+ | 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 | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCtheta |
Bioorg Med Chem Lett 19: 6575-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50258822
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-(4-methylp...)Show SMILES CN1CCN(CCOc2ccc(cc2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C28H30N6O/c1-20-24-9-10-31-27(24)8-7-26(20)32-28-22(17-29)18-30-19-25(28)21-3-5-23(6-4-21)35-16-15-34-13-11-33(2)12-14-34/h3-10,18-19,31H,11-16H2,1-2H3,(H,30,32) | 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
| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCtheta |
Bioorg Med Chem Lett 19: 6575-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50311960
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-((4-methylpip...)Show SMILES CN1CCN(CC1)S(=O)(=O)Cc1ccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1 Show InChI InChI=1S/C29H30N6O2S/c1-21-26-11-12-32-28(26)10-9-27(21)33-29-24(18-31-19-25(29)17-30)8-7-22-3-5-23(6-4-22)20-38(36,37)35-15-13-34(2)14-16-35/h3-12,18-19,32H,13-16,20H2,1-2H3,(H,31,33)/b8-7+ | 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 | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCtheta |
Bioorg Med Chem Lett 19: 6575-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50311947
(4-(2-(5-cyano-4-(4-methyl-1H-indol-5-ylamino)pyrid...)Show SMILES CCN(CC)S(=O)(=O)c1ccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1 Show InChI InChI=1S/C27H27N5O2S/c1-4-32(5-2)35(33,34)23-10-7-20(8-11-23)6-9-21-17-29-18-22(16-28)27(21)31-25-12-13-26-24(19(25)3)14-15-30-26/h6-15,17-18,30H,4-5H2,1-3H3,(H,29,31)/b9-6+ | 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 | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCtheta |
Bioorg Med Chem Lett 19: 6575-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50311957
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(4-(4-m...)Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1 Show InChI InChI=1S/C29H30N6O2S/c1-20-25-12-13-31-28(25)11-10-27(20)33-29-23(18-30)19-32-21(2)26(29)9-6-22-4-7-24(8-5-22)38(36,37)35-16-14-34(3)15-17-35/h4-13,19,31H,14-17H2,1-3H3,(H,32,33)/b9-6+ | 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 | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCtheta |
Bioorg Med Chem Lett 19: 6575-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50311946
(4-(2-(5-cyano-4-(4-methyl-1H-indol-5-ylamino)pyrid...)Show SMILES CN(C)S(=O)(=O)c1ccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1 Show InChI InChI=1S/C25H23N5O2S/c1-17-22-12-13-28-24(22)11-10-23(17)29-25-19(15-27-16-20(25)14-26)7-4-18-5-8-21(9-6-18)33(31,32)30(2)3/h4-13,15-16,28H,1-3H3,(H,27,29)/b7-4+ | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCtheta |
Bioorg Med Chem Lett 19: 6575-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50311966
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-(piperidin-1-...)Show SMILES Cc1c(Nc2c(\C=C\c3ccc(cc3)S(=O)(=O)N3CCCCC3)cncc2C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C28H27N5O2S/c1-20-25-13-14-31-27(25)12-11-26(20)32-28-22(18-30-19-23(28)17-29)8-5-21-6-9-24(10-7-21)36(34,35)33-15-3-2-4-16-33/h5-14,18-19,31H,2-4,15-16H2,1H3,(H,30,32)/b8-5+ | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCtheta |
Bioorg Med Chem Lett 19: 6575-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50311958
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(4-(pyr...)Show SMILES Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1\C=C\c1ccc(cc1)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C28H27N5O2S/c1-19-24-13-14-30-27(24)12-11-26(19)32-28-22(17-29)18-31-20(2)25(28)10-7-21-5-8-23(9-6-21)36(34,35)33-15-3-4-16-33/h5-14,18,30H,3-4,15-16H2,1-2H3,(H,31,32)/b10-7+ | 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 PKCtheta |
Bioorg Med Chem Lett 19: 6575-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50311964
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-(4-methylpipe...)Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1 Show InChI InChI=1S/C28H28N6O2S/c1-20-25-11-12-31-27(25)10-9-26(20)32-28-22(18-30-19-23(28)17-29)6-3-21-4-7-24(8-5-21)37(35,36)34-15-13-33(2)14-16-34/h3-12,18-19,31H,13-16H2,1-2H3,(H,30,32)/b6-3+ | 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 PKCtheta |
Bioorg Med Chem Lett 19: 6575-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50311959
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(4-(pip...)Show SMILES Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1\C=C\c1ccc(cc1)S(=O)(=O)N1CCCCC1 Show InChI InChI=1S/C29H29N5O2S/c1-20-25-14-15-31-28(25)13-12-27(20)33-29-23(18-30)19-32-21(2)26(29)11-8-22-6-9-24(10-7-22)37(35,36)34-16-4-3-5-17-34/h6-15,19,31H,3-5,16-17H2,1-2H3,(H,32,33)/b11-8+ | 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 | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCtheta |
Bioorg Med Chem Lett 19: 6575-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50311950
(CHEMBL1081357 | N-sec-butyl-1-(4-(2-(5-cyano-4-(4-...)Show SMILES CCC(C)NS(=O)(=O)Cc1ccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1 Show InChI InChI=1S/C28H29N5O2S/c1-4-19(2)33-36(34,35)18-22-7-5-21(6-8-22)9-10-23-16-30-17-24(15-29)28(23)32-26-11-12-27-25(20(26)3)13-14-31-27/h5-14,16-17,19,31,33H,4,18H2,1-3H3,(H,30,32)/b10-9+ | 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 PKCtheta |
Bioorg Med Chem Lett 19: 6575-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50311948
(4-(2-(5-cyano-4-(4-methyl-1H-indol-5-ylamino)pyrid...)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1 Show InChI InChI=1S/C29H31N5O2S/c1-4-16-34(17-5-2)37(35,36)25-10-7-22(8-11-25)6-9-23-19-31-20-24(18-30)29(23)33-27-12-13-28-26(21(27)3)14-15-32-28/h6-15,19-20,32H,4-5,16-17H2,1-3H3,(H,31,33)/b9-6+ | 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 | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCtheta |
Bioorg Med Chem Lett 19: 6575-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50311949
(4-(2-(5-cyano-4-(4-methyl-1H-indol-5-ylamino)pyrid...)Show SMILES CC(C)N(C(C)C)S(=O)(=O)c1ccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1 Show InChI InChI=1S/C29H31N5O2S/c1-19(2)34(20(3)4)37(35,36)25-10-7-22(8-11-25)6-9-23-17-31-18-24(16-30)29(23)33-27-12-13-28-26(21(27)5)14-15-32-28/h6-15,17-20,32H,1-5H3,(H,31,33)/b9-6+ | 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 | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PKCtheta |
Bioorg Med Chem Lett 19: 6575-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F |
More data for this
Ligand-Target Pair | |
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