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2 similar compounds to monomer 50391079

Compile data set for download or QSAR
Wt: 490.5
BDBM50391075
Wt: 490.5
BDBM50446227

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50391075,50446227   
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
Kallikrein 7


(Homo sapiens)
BDBM50391075
PNG
(CHEMBL2087343)
Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1
Show InChI InChI=1S/C27H26N2O5S/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-35-20)27(31)29-22-16-33-25-23(17-34-24(22)25)32-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23-,24-,25-/m1/s1
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PubMed
1.80E+3n/an/an/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human KLK7 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis


Bioorg Med Chem Lett 22: 6072-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.047
BindingDB Entry DOI: 10.7270/Q2SF2X8R
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM50446227
PNG
(CHEMBL3109056)
Show SMILES O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1
Show InChI InChI=1S/C27H26N2O5S/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-35-20)27(31)29-22-16-33-25-23(17-34-24(22)25)32-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23+,24+,25+/m0/s1
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1.80E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of human recombinant KLK7 expressed in baculovirus-infected insect cell system using Abz-KLYSSKQ-Eddnp as substrate incubated ...


Citation and Details

Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM50391075
PNG
(CHEMBL2087343)
Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1
Show InChI InChI=1S/C27H26N2O5S/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-35-20)27(31)29-22-16-33-25-23(17-34-24(22)25)32-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23-,24-,25-/m1/s1
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Article
PubMed
7.07E+4n/an/an/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Competitive inhibition of human KLK5 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis


Bioorg Med Chem Lett 22: 6072-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.047
BindingDB Entry DOI: 10.7270/Q2SF2X8R
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM50446227
PNG
(CHEMBL3109056)
Show SMILES O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1
Show InChI InChI=1S/C27H26N2O5S/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-35-20)27(31)29-22-16-33-25-23(17-34-24(22)25)32-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23+,24+,25+/m0/s1
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Article
PubMed
7.07E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated ...


Citation and Details

Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM50391075
PNG
(CHEMBL2087343)
Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1
Show InChI InChI=1S/C27H26N2O5S/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-35-20)27(31)29-22-16-33-25-23(17-34-24(22)25)32-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23-,24-,25-/m1/s1
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PubMed
n/an/a 1.33E+4n/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KLK7 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by FRET analysis


Bioorg Med Chem Lett 22: 6072-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.047
BindingDB Entry DOI: 10.7270/Q2SF2X8R
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM50391075
PNG
(CHEMBL2087343)
Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1
Show InChI InChI=1S/C27H26N2O5S/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-35-20)27(31)29-22-16-33-25-23(17-34-24(22)25)32-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23-,24-,25-/m1/s1
PDB
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B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 9.92E+4n/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KLK5 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by FRET analysis


Bioorg Med Chem Lett 22: 6072-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.047
BindingDB Entry DOI: 10.7270/Q2SF2X8R
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM50446227
PNG
(CHEMBL3109056)
Show SMILES O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1
Show InChI InChI=1S/C27H26N2O5S/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-35-20)27(31)29-22-16-33-25-23(17-34-24(22)25)32-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23+,24+,25+/m0/s1
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Article
PubMed
n/an/a 1.33E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant KLK7 expressed in baculovirus-infected insect cell system using Abz-KLYSSKQ-Eddnp as substrate incubated for 5 mins p...


Citation and Details

Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM50446227
PNG
(CHEMBL3109056)
Show SMILES O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1
Show InChI InChI=1S/C27H26N2O5S/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-35-20)27(31)29-22-16-33-25-23(17-34-24(22)25)32-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23+,24+,25+/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.92E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated for 5 mins p...


Citation and Details

Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair