Found 2 hits for monomerid = 50517659 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/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)) | BDBM50517659
(CHEMBL4439095)Show SMILES CC(C)Oc1ncccc1CNc1ncc(C#N)c(NCC23CC4CC(C2)C(NC[C@H]2CC[C@H](O)CC2)C(C4)C3)n1 |r,wU:33.35,wD:30.31,TLB:38:37:26:24.23.22,THB:38:23:27.37.39:26,22:23:27:39.21.26,22:21:27:24.38.23,28:27:26:24.23.22,(65.99,-41.77,;64.65,-41,;63.32,-41.78,;64.65,-39.46,;63.31,-38.7,;61.98,-39.47,;60.64,-38.7,;60.64,-37.16,;61.97,-36.39,;63.3,-37.16,;64.64,-36.4,;64.64,-34.86,;65.97,-34.09,;67.31,-34.86,;68.65,-34.09,;68.64,-32.54,;69.97,-31.76,;71.3,-30.98,;67.3,-31.77,;67.3,-30.23,;65.96,-29.47,;64.63,-30.23,;65.05,-31.68,;63.86,-32.64,;62.71,-31.77,;62.26,-30.43,;63.41,-29.49,;60.51,-30.3,;59.06,-29.78,;58.79,-28.26,;57.34,-27.74,;57.07,-26.23,;55.63,-25.71,;54.45,-26.69,;53,-26.17,;54.72,-28.21,;56.17,-28.74,;61.78,-31.2,;62.23,-32.65,;63.01,-30.2,;65.98,-32.54,)| Show InChI InChI=1S/C32H45N7O2/c1-20(2)41-30-23(4-3-9-34-30)17-36-31-37-18-26(15-33)29(39-31)38-19-32-12-22-10-24(13-32)28(25(11-22)14-32)35-16-21-5-7-27(40)8-6-21/h3-4,9,18,20-22,24-25,27-28,35,40H,5-8,10-14,16-17,19H2,1-2H3,(H2,36,37,38,39)/t21-,22?,24?,25?,27-,28?,32? | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PKCtheta in human Jurkat cells assessed as reduction in IL2 production after 14 hrs by luciferase reporter gene assay |
Bioorg Med Chem 27: 790-799 (2019)
Article DOI: 10.1016/j.bmc.2019.01.019 |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50517659
(CHEMBL4439095)Show SMILES CC(C)Oc1ncccc1CNc1ncc(C#N)c(NCC23CC4CC(C2)C(NC[C@H]2CC[C@H](O)CC2)C(C4)C3)n1 |r,wU:33.35,wD:30.31,TLB:38:37:26:24.23.22,THB:38:23:27.37.39:26,22:23:27:39.21.26,22:21:27:24.38.23,28:27:26:24.23.22,(65.99,-41.77,;64.65,-41,;63.32,-41.78,;64.65,-39.46,;63.31,-38.7,;61.98,-39.47,;60.64,-38.7,;60.64,-37.16,;61.97,-36.39,;63.3,-37.16,;64.64,-36.4,;64.64,-34.86,;65.97,-34.09,;67.31,-34.86,;68.65,-34.09,;68.64,-32.54,;69.97,-31.76,;71.3,-30.98,;67.3,-31.77,;67.3,-30.23,;65.96,-29.47,;64.63,-30.23,;65.05,-31.68,;63.86,-32.64,;62.71,-31.77,;62.26,-30.43,;63.41,-29.49,;60.51,-30.3,;59.06,-29.78,;58.79,-28.26,;57.34,-27.74,;57.07,-26.23,;55.63,-25.71,;54.45,-26.69,;53,-26.17,;54.72,-28.21,;56.17,-28.74,;61.78,-31.2,;62.23,-32.65,;63.01,-30.2,;65.98,-32.54,)| Show InChI InChI=1S/C32H45N7O2/c1-20(2)41-30-23(4-3-9-34-30)17-36-31-37-18-26(15-33)29(39-31)38-19-32-12-22-10-24(13-32)28(25(11-22)14-32)35-16-21-5-7-27(40)8-6-21/h3-4,9,18,20-22,24-25,27-28,35,40H,5-8,10-14,16-17,19H2,1-2H3,(H2,36,37,38,39)/t21-,22?,24?,25?,27-,28?,32? | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length PKCtheta using biotin-labelled STK substrate-1 as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem 27: 790-799 (2019)
Article DOI: 10.1016/j.bmc.2019.01.019 |
More data for this
Ligand-Target Pair | |
Search and Browse
