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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50391078   
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
Kallikrein-7


(Homo sapiens (Human))		BDBM50391078
PNG
(CHEMBL2087346)
Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1ccco1 |r|
Show InChI InChI=1S/C27H26N2O6/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-32-20)27(31)29-22-16-34-25-23(17-35-24(22)25)33-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23-,24-,25-/m1/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.63E+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 [D153N]


(Homo sapiens (Human))		BDBM50391078
PNG
(CHEMBL2087346)
Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1ccco1 |r|
Show InChI InChI=1S/C27H26N2O6/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-32-20)27(31)29-22-16-34-25-23(17-35-24(22)25)33-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23-,24-,25-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.91E+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