BDBM50256261 CHEMBL4059991

SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(CSC[C@@H](NC1=O)C(=O)N[C@@H](C)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N2)c3

InChI Key InChIKey=OHOYFNPMBCNOTR-UHFFFAOYSA-N

Data  22 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50256261   

TargetPlasma kallikrein(Human)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50256261(CHEMBL4059991)
Affinity DataIC50: 27nMAssay Description:Inhibition of human plasma kallikrein spiked in pig vitreous using HMWK as substrate assessed as suppression of bradykinin release preincubated for 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2019
Entry Details Article
PubMed
TargetPlasma kallikrein(Human)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50256261(CHEMBL4059991)
Affinity DataIC50: 790nMAssay Description:Inhibition of plasma kallikrein in human plasma using HMWK as substrate assessed as suppression of kaolin-activated protein induced bradykinin releas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2019
Entry Details Article
PubMed
TargetPlasma kallikrein(Human)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50256261(CHEMBL4059991)
Affinity DataKi:  3nMAssay Description:Inhibition of human plasma kallikrein using fluorogenic H-Pro-Phe-Arg-AMC peptide as substrate preincubated for 15 mins followed by substrate additio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2019
Entry Details Article
PubMed
TargetPlasma kallikrein(Rat)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50256261(CHEMBL4059991)
Affinity DataKi:  3.40nMAssay Description:Inhibition of recombinant Sprague-Dawley rat plasma kallikrein using fluorogenic H-Pro-Phe-Arg-AMC peptide as substrate preincubated for 15 mins foll...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2019
Entry Details Article
PubMed
TargetPlasma kallikrein(Mouse)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50256261(CHEMBL4059991)
Affinity DataKi:  54nMAssay Description:Inhibition of recombinant mouse C-terminal 6His-tagged plasma kallikrein (20 to 638 residues) using fluorogenic H-Pro-Phe-Arg-AMC peptide as substrat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2019
Entry Details Article
PubMed
TargetKallikrein(Pig)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50256261(CHEMBL4059991)
Affinity DataKi:  410nMAssay Description:Inhibition of pig plasma kallikrein using fluorogenic H-Pro-Phe-Arg-AMC peptide as substrate preincubated for 15 mins followed by substrate addition ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2019
Entry Details Article
PubMed
TargetSuppressor of tumorigenicity 14 protein(Human)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50256261(CHEMBL4059991)
Affinity DataKi:  4.00E+4nMAssay Description:Inhibition of recombinant human N-terminal 6His-tagged matriptase catalytic domain (596 to 855 residues) expressed in Escherichia coli using fluoroge...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2019
Entry Details Article
PubMed
TargetVitamin K-dependent protein C(Human)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50256261(CHEMBL4059991)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of human activated protein C by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2019
Entry Details Article
PubMed
TargetCoagulation factor VII(Human)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50256261(CHEMBL4059991)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of human factor 7a using fluorogenic peptide as substrate by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2019
Entry Details Article
PubMed
TargetCoagulation factor X(Human)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50256261(CHEMBL4059991)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of recombinant human C-terminal 10His-tagged factor Xa (24 to 488 residues) expressed in baculovirus derived insect sf21 cells using fluor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2019
Entry Details Article
PubMed
TargetKallikrein-1(Human)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50256261(CHEMBL4059991)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of recombinant human C-terminal His-tagged KLK1 (1 to 262 residues) expressed in HEK293 cells using fluorogenic PFR-AMC peptide as substra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2019
Entry Details Article
PubMed
TargetKallikrein-12(Human)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50256261(CHEMBL4059991)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of recombinant human C-terminal 10His-tagged KLK12 (18 to 248 residues) expressed in mouse NS0 cells using fluorogenic Boc-VPR-AMC peptide...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2019
Entry Details Article
PubMed
TargetCoagulation factor XI(Human)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50256261(CHEMBL4059991)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of human factor 11a using fluorogenic peptide as substrate by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2019
Entry Details Article
PubMed
TargetGranzyme B(Human)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50256261(CHEMBL4059991)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of recombinant human Granzyme B (21 to 247 residues) using fluorogenic Ac-IEPD-pNA peptide as substrate by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2019
Entry Details Article
PubMed
TargetComplement C1s subcomponent(Human)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50256261(CHEMBL4059991)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of recombinant human C-terminal 6His-tagged complement component C1s (1 to 688 residues) expressed in mouse NS0 cells using fluorogenic Z-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2019
Entry Details Article
PubMed
TargetKallikrein-14(Human)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50256261(CHEMBL4059991)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of recombinant human C-terminal 10His-tagged KLK14 (19 to 248 residues) expressed in mouse NS0 cells using fluorogenic Boc-VPR-AMC peptide...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2019
Entry Details Article
PubMed
TargetCoagulation factor XII(Human)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50256261(CHEMBL4059991)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of human factor 12a using fluorogenic peptide as substrate by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2019
Entry Details Article
PubMed
TargetPlasminogen(Human)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50256261(CHEMBL4059991)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of recombinant human plasmin using fluorogenic D-AFK-ANSNH-iC4H9.2HBr peptide as substrate by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2019
Entry Details Article
PubMed
TargetProthrombin(Human)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50256261(CHEMBL4059991)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of recombinant human alpha thrombin using fluorogenic peptide as substrate by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2019
Entry Details Article
PubMed
TargetCathepsin G(Human)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50256261(CHEMBL4059991)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of recombinant human Cathepsin-GMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2019
Entry Details Article
PubMed
TargetKallikrein-2(Human)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50256261(CHEMBL4059991)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of recombinant human C-terminal 10His-tagged KLK2 (1 to 261 residues) expressed in mouse NS0 cells using fluorogenic PFR-AMC peptide as su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2019
Entry Details Article
PubMed
TargetKallikrein-5(Human)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50256261(CHEMBL4059991)
Affinity DataKi:  5.00E+4nMAssay Description:Inhibition of recombinant human C-terminal 10His-tagged KLK5 (67 to 293 residues) expressed in mouse NS0 cells using fluorogenic Boc-VPR-AMC peptide ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2019
Entry Details Article
PubMed
TargetKallikrein-6(Human)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50256261(CHEMBL4059991)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of recombinant human C-terminal His-tagged KLK6 isoform 1 (1 to 244 residues) expressed in HEK293 cells using fluorogenic Boc-QARAMC pepti...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2019
Entry Details Article
PubMed
TargetKallikrein-13(Human)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50256261(CHEMBL4059991)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of recombinant human C-terminal polyHis-tagged KLK13 (1 to 262 residues) expressed in HEK293 cells using fluorogenic Boc-VPR-AMC peptide a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2019
Entry Details Article
PubMed