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SMILES: [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#8]-[#6@@H]-2-[#6@@H](-[#6]-[#8]-[#6@H]-1-2)-[#8]-[#6]-c1ccccc1

InChI Key: InChIKey=XCLWZPPKPAYIQR-KKYNAJBLSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50446228   
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-5 [D153N]


(Homo sapiens (Human))
BDBM50446228
PNG
(CHEMBL3109061)
Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#8]-[#6@@H]-2-[#6@@H](-[#6]-[#8]-[#6@H]-1-2)-[#8]-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C40H49N5O10/c1-40(2,3)55-39(49)43-30(35(46)42-31-25-51-34-32(26-52-33(31)34)50-22-27-14-7-4-8-15-27)20-13-21-41-36(44-37(47)53-23-28-16-9-5-10-17-28)45-38(48)54-24-29-18-11-6-12-19-29/h4-12,14-19,30-34H,13,20-26H2,1-3H3,(H,42,46)(H,43,49)(H2,41,44,45,47,48)/t30-,31+,32-,33-,34-/m1/s1
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


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


ACS Med Chem Lett 5: 128-32 (2014)


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


(Homo sapiens (Human))
BDBM50446228
PNG
(CHEMBL3109061)
Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#8]-[#6@@H]-2-[#6@@H](-[#6]-[#8]-[#6@H]-1-2)-[#8]-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C40H49N5O10/c1-40(2,3)55-39(49)43-30(35(46)42-31-25-51-34-32(26-52-33(31)34)50-22-27-14-7-4-8-15-27)20-13-21-41-36(44-37(47)53-23-28-16-9-5-10-17-28)45-38(48)54-24-29-18-11-6-12-19-29/h4-12,14-19,30-34H,13,20-26H2,1-3H3,(H,42,46)(H,43,49)(H2,41,44,45,47,48)/t30-,31+,32-,33-,34-/m1/s1
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UniChem
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2.40E+3n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


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


ACS Med Chem Lett 5: 128-32 (2014)


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


(Homo sapiens (Human))
BDBM50446228
PNG
(CHEMBL3109061)
Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#8]-[#6@@H]-2-[#6@@H](-[#6]-[#8]-[#6@H]-1-2)-[#8]-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C40H49N5O10/c1-40(2,3)55-39(49)43-30(35(46)42-31-25-51-34-32(26-52-33(31)34)50-22-27-14-7-4-8-15-27)20-13-21-41-36(44-37(47)53-23-28-16-9-5-10-17-28)45-38(48)54-24-29-18-11-6-12-19-29/h4-12,14-19,30-34H,13,20-26H2,1-3H3,(H,42,46)(H,43,49)(H2,41,44,45,47,48)/t30-,31+,32-,33-,34-/m1/s1
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n/an/a 1.69E+4n/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


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...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50446228
PNG
(CHEMBL3109061)
Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#8]-[#6@@H]-2-[#6@@H](-[#6]-[#8]-[#6@H]-1-2)-[#8]-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C40H49N5O10/c1-40(2,3)55-39(49)43-30(35(46)42-31-25-51-34-32(26-52-33(31)34)50-22-27-14-7-4-8-15-27)20-13-21-41-36(44-37(47)53-23-28-16-9-5-10-17-28)45-38(48)54-24-29-18-11-6-12-19-29/h4-12,14-19,30-34H,13,20-26H2,1-3H3,(H,42,46)(H,43,49)(H2,41,44,45,47,48)/t30-,31+,32-,33-,34-/m1/s1
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PC cid
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UniChem
Article
PubMed
n/an/a 1.18E+4n/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


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...


ACS Med Chem Lett 5: 128-32 (2014)


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