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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50014275   
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
Plasma kallikrein


(Homo sapiens (Human))
BDBM50574377
PNG
(CHEMBL4853430)
Show SMILES Cc1c(Cn2cnc(c2)C(=O)N[C@@H]2CCc3c2ncn3C)cnc(N2CC3CC3C2)c1C#N |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human plasma kallikrein using H-Pro-Phe-AMC as fluorogenic substrate measured every 2 mins for 12 mins by microplate reader analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00622
BindingDB Entry DOI: 10.7270/Q2GB27WQ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50574379
PNG
(CHEMBL4875151)
Show SMILES Cc1c(Cn2cnc(c2)C(=O)N[C@@H]2CCc3c2ncn3C)ccc(N2CC3CC3C2)c1C#N |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human plasma kallikrein using H-Pro-Phe-AMC as fluorogenic substrate measured every 2 mins for 12 mins by microplate reader analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00622
BindingDB Entry DOI: 10.7270/Q2GB27WQ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50574380
PNG
(CHEMBL4873547)
Show SMILES Cn1cnc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(cc2C#N)N2CC3CC3C2)cn1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human plasma kallikrein using H-Pro-Phe-AMC as fluorogenic substrate measured every 2 mins for 12 mins by microplate reader analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00622
BindingDB Entry DOI: 10.7270/Q2GB27WQ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50574381
PNG
(CHEMBL4854358)
Show SMILES Cn1cnc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(cc2C#N)N2CC3C(C2)C3(F)F)cn1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human plasma kallikrein using H-Pro-Phe-AMC as fluorogenic substrate measured every 2 mins for 12 mins by microplate reader analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00622
BindingDB Entry DOI: 10.7270/Q2GB27WQ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50574376
PNG
(CHEMBL4867704)
Show SMILES Cc1c(Cn2cc(cn2)C(=O)N[C@@H]2CCc3c2ncn3C)cnc(N2CC3CC3C2)c1C#N |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human plasma kallikrein using H-Pro-Phe-AMC as fluorogenic substrate measured every 2 mins for 12 mins by microplate reader analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00622
BindingDB Entry DOI: 10.7270/Q2GB27WQ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50574378
PNG
(CHEMBL4867424)
Show SMILES Cc1c(Cn2cc(cn2)C(=O)N[C@@H]2CCc3c2ncn3C)ccc(N2CC3CC3C2)c1C#N |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human plasma kallikrein using H-Pro-Phe-AMC as fluorogenic substrate measured every 2 mins for 12 mins by microplate reader analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00622
BindingDB Entry DOI: 10.7270/Q2GB27WQ
More data for this
Ligand-Target Pair