BDBM50258345 5-(4-(2-(4-(2-hydroxyethyl)piperazin-1-yl)ethoxy)phenyl)-4-(4-methyl-1H-indol-5-ylamino)nicotinonitrile::CHEMBL522344
SMILES: Cc1c(Nc2c(cncc2-c2ccc(OCCN3CCN(CCO)CC3)cc2)C#N)ccc2[nH]ccc12
InChI Key: InChIKey=IFPLUMSPGLKAOT-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50258345 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 delta type
(Homo sapiens (Human)) | BDBM50258345
(5-(4-(2-(4-(2-hydroxyethyl)piperazin-1-yl)ethoxy)p...)Show SMILES Cc1c(Nc2c(cncc2-c2ccc(OCCN3CCN(CCO)CC3)cc2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C29H32N6O2/c1-21-25-8-9-32-28(25)7-6-27(21)33-29-23(18-30)19-31-20-26(29)22-2-4-24(5-3-22)37-17-15-35-12-10-34(11-13-35)14-16-36/h2-9,19-20,32,36H,10-17H2,1H3,(H,31,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human PKCdelta by IMAP assay |
Bioorg Med Chem Lett 19: 3623-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.126 BindingDB Entry DOI: 10.7270/Q29W0FD4 |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50258345
(5-(4-(2-(4-(2-hydroxyethyl)piperazin-1-yl)ethoxy)p...)Show SMILES Cc1c(Nc2c(cncc2-c2ccc(OCCN3CCN(CCO)CC3)cc2)C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C29H32N6O2/c1-21-25-8-9-32-28(25)7-6-27(21)33-29-23(18-30)19-31-20-26(29)22-2-4-24(5-3-22)37-17-15-35-12-10-34(11-13-35)14-16-36/h2-9,19-20,32,36H,10-17H2,1H3,(H,31,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 14 | 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 assay |
Bioorg Med Chem Lett 19: 3623-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.126 BindingDB Entry DOI: 10.7270/Q29W0FD4 |
More data for this Ligand-Target Pair | |