BDBM50311961 4-(4-methyl-1H-indol-5-ylamino)-5-(3-((4-methylpiperazin-1-ylsulfonyl)methyl)styryl)nicotinonitrile::CHEMBL1081921
SMILES: CN1CCN(CC1)S(=O)(=O)Cc1cccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
InChI Key: InChIKey=XOTNYFMXYDWFEU-VOTSOKGWSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50311961 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)) | 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 UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 94 | 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)) | 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 | |