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BDBM50311958 6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(4-(pyrrolidin-1-ylsulfonyl)styryl)nicotinonitrile::CHEMBL1079745

SMILES: Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1\C=C\c1ccc(cc1)S(=O)(=O)N1CCCC1

InChI Key: InChIKey=JBSXQSFCUDTPCT-JXMROGBWSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50311958   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50311958
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(4-(pyr...)
Show SMILES Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1\C=C\c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C28H27N5O2S/c1-19-24-13-14-30-27(24)12-11-26(19)32-28-22(17-29)18-31-20(2)25(28)10-7-21-5-8-23(9-6-21)36(34,35)33-15-3-4-16-33/h5-14,18,30H,3-4,15-16H2,1-2H3,(H,31,32)/b10-7+
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.10E+3n/an/an/an/an/an/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))
BDBM50311958
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(4-(pyr...)
Show SMILES Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1\C=C\c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C28H27N5O2S/c1-19-24-13-14-30-27(24)12-11-26(19)32-28-22(17-29)18-31-20(2)25(28)10-7-21-5-8-23(9-6-21)36(34,35)33-15-3-4-16-33/h5-14,18,30H,3-4,15-16H2,1-2H3,(H,31,32)/b10-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/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