BDBM50263173 (R)-2-(3-(3-(dimethylamino)pyrrolidin-1-yl)-3-oxoprop-1-enyl)-4-(4-methyl-1H-indol-5-ylamino)thieno[2,3-b]pyridine-5-carbonitrile::CHEMBL514533
SMILES: CN(C)[C@@H]1CCN(C1)C(=O)\C=C\c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
InChI Key: InChIKey=XEAWPTQREKCGSA-WEBJUUICSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50263173 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)) | BDBM50263173
((R)-2-(3-(3-(dimethylamino)pyrrolidin-1-yl)-3-oxop...)Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)\C=C\c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N |r| Show InChI InChI=1S/C26H26N6OS/c1-16-20-8-10-28-23(20)6-5-22(16)30-25-17(13-27)14-29-26-21(25)12-19(34-26)4-7-24(33)32-11-9-18(15-32)31(2)3/h4-8,10,12,14,18,28H,9,11,15H2,1-3H3,(H,29,30)/b7-4+/t18-/m1/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
| n/a | n/a | 180 | 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 18: 4420-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.040 BindingDB Entry DOI: 10.7270/Q2WS8T2G |
More data for this Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50263173
((R)-2-(3-(3-(dimethylamino)pyrrolidin-1-yl)-3-oxop...)Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)\C=C\c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N |r| Show InChI InChI=1S/C26H26N6OS/c1-16-20-8-10-28-23(20)6-5-22(16)30-25-17(13-27)14-29-26-21(25)12-19(34-26)4-7-24(33)32-11-9-18(15-32)31(2)3/h4-8,10,12,14,18,28H,9,11,15H2,1-3H3,(H,29,30)/b7-4+/t18-/m1/s1 | PDB MMDB
NCI pathway 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 | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PKCdelta |
Bioorg Med Chem Lett 18: 4420-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.040 BindingDB Entry DOI: 10.7270/Q2WS8T2G |
More data for this Ligand-Target Pair | |