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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50016415   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50542127
PNG
(CHEMBL4635482)
Show SMILES Nc1ccc(c(F)c1)-c1cc(N[C@H]2CCCCNC2)c2ccncc2c1 |r|
Show InChI InChI=1S/C21H23FN4/c22-20-11-16(23)4-5-18(20)14-9-15-12-25-8-6-19(15)21(10-14)26-17-3-1-2-7-24-13-17/h4-6,8-12,17,24,26H,1-3,7,13,23H2/t17-/m0/s1
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PC sid
UniChem
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01803
BindingDB Entry DOI: 10.7270/Q2KD22XQ
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50542111
PNG
(CHEMBL4644763)
Show SMILES C1C[C@@H](CN1)Oc1ccc2cncc(-c3cnc4[nH]ccc4c3)c2c1 |r|
Show InChI InChI=1S/C20H18N4O/c1-2-16(25-17-4-5-21-11-17)8-18-14(1)9-22-12-19(18)15-7-13-3-6-23-20(13)24-10-15/h1-3,6-10,12,17,21H,4-5,11H2,(H,23,24)/t17-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01803
BindingDB Entry DOI: 10.7270/Q2KD22XQ
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50542099
PNG
(CHEMBL4633319)
Show SMILES Nc1ccc(cc1)-c1ccc2ccncc2c1
Show InChI InChI=1S/C15H12N2/c16-15-5-3-11(4-6-15)13-2-1-12-7-8-17-10-14(12)9-13/h1-10H,16H2
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PC cid
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UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01803
BindingDB Entry DOI: 10.7270/Q2KD22XQ
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50542098
PNG
(CHEMBL4645167)
Show SMILES C1C[C@@H](CN1)Oc1ccc2cnccc2c1 |r|
Show InChI InChI=1S/C13H14N2O/c1-2-12(16-13-4-6-15-9-13)7-10-3-5-14-8-11(1)10/h1-3,5,7-8,13,15H,4,6,9H2/t13-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01803
BindingDB Entry DOI: 10.7270/Q2KD22XQ
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50542096
PNG
(CHEMBL4637961)
Show SMILES Nc1ccc(cc1)-c1cncc2ccccc12
Show InChI InChI=1S/C15H12N2/c16-13-7-5-11(6-8-13)15-10-17-9-12-3-1-2-4-14(12)15/h1-10H,16H2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01803
BindingDB Entry DOI: 10.7270/Q2KD22XQ
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50542097
PNG
(CHEMBL4633862)
Show SMILES C1CNCC(C1)Nc1cccc2cnccc12
Show InChI InChI=1S/C14H17N3/c1-3-11-9-16-8-6-13(11)14(5-1)17-12-4-2-7-15-10-12/h1,3,5-6,8-9,12,15,17H,2,4,7,10H2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01803
BindingDB Entry DOI: 10.7270/Q2KD22XQ
More data for this
Ligand-Target Pair