BDBM50311963 6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-((4-methylpiperazin-1-ylsulfonyl)methyl)styryl)nicotinonitrile::CHEMBL1079427
SMILES: CN1CCN(CC1)S(=O)(=O)Cc1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
InChI Key: InChIKey=ZQKCTEOSJBBWBB-BQYQJAHWSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50311963 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)) | 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 UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 97 | 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 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 | |