BDBM50311951 4-(4-methyl-1H-indol-5-ylamino)-5-(3-(pyrrolidin-1-ylsulfonyl)styryl)nicotinonitrile::CHEMBL1081358
SMILES: Cc1c(Nc2c(\C=C\c3cccc(c3)S(=O)(=O)N3CCCC3)cncc2C#N)ccc2[nH]ccc12
InChI Key: InChIKey=XPKKUXKJOCVNEJ-BQYQJAHWSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50311951 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)) | BDBM50311951
(4-(4-methyl-1H-indol-5-ylamino)-5-(3-(pyrrolidin-1...)Show SMILES Cc1c(Nc2c(\C=C\c3cccc(c3)S(=O)(=O)N3CCCC3)cncc2C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C27H25N5O2S/c1-19-24-11-12-30-26(24)10-9-25(19)31-27-21(17-29-18-22(27)16-28)8-7-20-5-4-6-23(15-20)35(33,34)32-13-2-3-14-32/h4-12,15,17-18,30H,2-3,13-14H2,1H3,(H,29,31)/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 | 120 | 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)) | BDBM50311951
(4-(4-methyl-1H-indol-5-ylamino)-5-(3-(pyrrolidin-1...)Show SMILES Cc1c(Nc2c(\C=C\c3cccc(c3)S(=O)(=O)N3CCCC3)cncc2C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C27H25N5O2S/c1-19-24-11-12-30-26(24)10-9-25(19)31-27-21(17-29-18-22(27)16-28)8-7-20-5-4-6-23(15-20)35(33,34)32-13-2-3-14-32/h4-12,15,17-18,30H,2-3,13-14H2,1H3,(H,29,31)/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 | 6 | 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 | |