BDBM50311964 4-(4-methyl-1H-indol-5-ylamino)-5-(4-(4-methylpiperazin-1-ylsulfonyl)styryl)nicotinonitrile::CHEMBL1079435
SMILES: CN1CCN(CC1)S(=O)(=O)c1ccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1
InChI Key: InChIKey=WXEYWIXOJDRUIB-ZZXKWVIFSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50311964 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)) | BDBM50311964
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-(4-methylpipe...)Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1 Show InChI InChI=1S/C28H28N6O2S/c1-20-25-11-12-31-27(25)10-9-26(20)32-28-22(18-30-19-23(28)17-29)6-3-21-4-7-24(8-5-21)37(35,36)34-15-13-33(2)14-16-34/h3-12,18-19,31H,13-16H2,1-2H3,(H,30,32)/b6-3+ | 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 | 23 | 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 | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50311964
(4-(4-methyl-1H-indol-5-ylamino)-5-(4-(4-methylpipe...)Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1 Show InChI InChI=1S/C28H28N6O2S/c1-20-25-11-12-31-27(25)10-9-26(20)32-28-22(18-30-19-23(28)17-29)6-3-21-4-7-24(8-5-21)37(35,36)34-15-13-33(2)14-16-34/h3-12,18-19,31H,13-16H2,1-2H3,(H,30,32)/b6-3+ | 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 | 140 | 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 | |