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Compile Data Set for Download or QSAR

Found 6 hits of ki data for polymerid = 50007405   
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
Meprin A subunit beta


(Homo sapiens)
BDBM50240418
PNG
(CHEMBL4096803)
Show SMILES [Na+].[Na+].[Na+].[Na+].Cc1nc(\N=N\c2cc(c3cc(cc(c3c2)S([O-])(=O)=O)[N+]([O-])=O)S([O-])(=O)=O)c(COP([O-])([O-])=O)c(C(O)=O)c1O
Show InChI InChI=1S/C18H15N4O15PS2/c1-7-16(23)15(18(24)25)12(6-37-38(28,29)30)17(19-7)21-20-8-2-10-11(13(3-8)39(31,32)33)4-9(22(26)27)5-14(10)40(34,35)36/h2-5,23H,6H2,1H3,(H,24,25)(H2,28,29,30)(H,31,32,33)(H,34,35,36)/p-4/b21-20+
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8n/an/an/an/an/an/an/an/a



Fraunhofer Institute for Cell Therapy and Immunology IZI

Curated by ChEMBL


Assay Description
Inhibition of recombinant human meprin beta expressed in baculovirus infected Sf9 insect cells using (MCA)-EDEDED-(K-epsilon-dnp) as substrate by flu...


Bioorg Med Chem Lett 27: 2428-2431 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.012
BindingDB Entry DOI: 10.7270/Q2CR5WH0
More data for this
Ligand-Target Pair
Meprin A subunit beta


(Homo sapiens)
BDBM50240455
PNG
(CHEMBL1253351)
Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(NC(=O)c2cc(NC(=O)Nc3cc(cc(c3)C(=O)Nc3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)C(=O)Nc3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)cc(c2)C(=O)Nc2ccc(cc2S([O-])(=O)=O)S([O-])(=O)=O)c(c1)S([O-])(=O)=O
Show InChI InChI=1S/C41H32N6O29S8/c48-37(44-29-5-1-25(77(53,54)55)15-33(29)81(65,66)67)19-9-20(38(49)45-30-6-2-26(78(56,57)58)16-34(30)82(68,69)70)12-23(11-19)42-41(52)43-24-13-21(39(50)46-31-7-3-27(79(59,60)61)17-35(31)83(71,72)73)10-22(14-24)40(51)47-32-8-4-28(80(62,63)64)18-36(32)84(74,75)76/h1-18H,(H,44,48)(H,45,49)(H,46,50)(H,47,51)(H2,42,43,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)/p-8
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22n/an/an/an/an/an/an/an/a



Fraunhofer Institute for Cell Therapy and Immunology IZI

Curated by ChEMBL


Assay Description
Inhibition of recombinant human meprin beta expressed in baculovirus infected Sf9 insect cells using (MCA)-EDEDED-(K-epsilon-dnp) as substrate by flu...


Bioorg Med Chem Lett 27: 2428-2431 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.012
BindingDB Entry DOI: 10.7270/Q2CR5WH0
More data for this
Ligand-Target Pair
Meprin A subunit beta


(Homo sapiens)
BDBM50089194
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...)
Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Fraunhofer Institute for Cell Therapy and Immunology IZI

Curated by ChEMBL


Assay Description
Inhibition of human meprin beta expressed in baculovirus infected BTI-TN-5B1-4 insect cells using N-benzoyl-L-tyrosylp-aminobenzoic acid as substrate


Bioorg Med Chem Lett 27: 2428-2431 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.012
BindingDB Entry DOI: 10.7270/Q2CR5WH0
More data for this
Ligand-Target Pair
Meprin A subunit beta


(Homo sapiens)
BDBM50089194
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...)
Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
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PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Fraunhofer Institute for Cell Therapy and Immunology IZI

Curated by ChEMBL


Assay Description
Inhibition of recombinant human meprin beta expressed in baculovirus infected insect cells using N-benzoyl-L-tyrosyl-p-aminobenzoic acid as substrate


J Med Chem 61: 4578-4592 (2018)

More data for this
Ligand-Target Pair
Meprin A subunit beta


(Homo sapiens)
BDBM13080
PNG
(CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)
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7.40E+3n/an/an/an/an/an/an/an/a



Fraunhofer Institute for Cell Therapy and Immunology IZI

Curated by ChEMBL


Assay Description
Inhibition of recombinant human meprin beta expressed in baculovirus infected insect cells using N-benzoyl-L-tyrosyl-p-aminobenzoic acid as substrate


J Med Chem 61: 4578-4592 (2018)

More data for this
Ligand-Target Pair
Meprin A subunit beta


(Homo sapiens)
BDBM13080
PNG
(CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)
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PubMed
7.40E+3n/an/an/an/an/an/an/an/a



Fraunhofer Institute for Cell Therapy and Immunology IZI

Curated by ChEMBL


Assay Description
Inhibition of human meprin beta expressed in baculovirus infected BTI-TN-5B1-4 insect cells using N-benzoyl-L-tyrosylp-aminobenzoic acid as substrate


Bioorg Med Chem Lett 27: 2428-2431 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.012
BindingDB Entry DOI: 10.7270/Q2CR5WH0
More data for this
Ligand-Target Pair