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Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'minn' and Initial = 'i'   
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
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50187704
PNG
(CHEMBL3828024)
Show SMILES CN1\C(=C\C=C2/CCCC(\C=C\C3=[N+](CCCCCC(=O)NCCCCC(NC(=O)CCCCCCC(=O)NCCCCC(NC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(=O)NCc4ccc(cc4)-c4ccc(O)c(c4)-c4cc5cc(ccc5[nH]4)C(=N)\N=C(\C)O)c4ccc(cc4C3(C)C)S([O-])(=O)=O)=C2)C(C)(C)c2cc(ccc12)S([O-])(=O)=O |c:12,110|
Show InChI InChI=1/C87H107N11O19S2/c1-54(99)92-81(88)60-32-36-67-61(48-60)50-71(93-67)64-49-59(33-40-74(64)100)58-30-26-57(27-31-58)53-91-82(106)68(94-79(103)25-11-8-7-10-23-77(101)90-45-16-14-22-69(83(107)108)95-85(111)96-70(84(109)110)37-43-80(104)105)21-13-15-44-89-78(102)24-12-9-17-46-98-73-39-35-63(119(115,116)117)52-66(73)87(4,5)76(98)42-29-56-20-18-19-55(47-56)28-41-75-86(2,3)65-51-62(118(112,113)114)34-38-72(65)97(75)6/h26-36,38-42,47-52,68-70H,7-25,37,43-46,53H2,1-6H3,(H14-,88,89,90,91,92,93,94,95,96,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117)/p-1
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n/an/a 25n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of PSMA (unknown origin) assessed as reduction in glutamate formation using NAAG as substrate preincubated for 30 mins followed by substra...


Eur J Med Chem 118: 208-218 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3HB6
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50187705
PNG
(CHEMBL3828668)
Show SMILES CN1\C(=C\C=C2/CCCC(\C=C\C3=[N+](CCCCCC(=O)NCCCCC(NC(=O)CCCCCCC(=O)NCCCCC(NC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(=O)NCc4ccc(cc4)-c4ccc(O)c(c4)-c4cc5cc(ccc5[nH]4)C(N)=N)c4ccc(cc4C3(C)C)S([O-])(=O)=O)=C2)C(C)(C)c2cc(ccc12)S([O-])(=O)=O |c:12,107|
Show InChI InChI=1/C85H105N11O18S2/c1-84(2)63-50-60(115(109,110)111)33-37-70(63)95(5)73(84)40-27-53-18-17-19-54(46-53)28-41-74-85(3,4)64-51-61(116(112,113)114)34-38-71(64)96(74)45-16-8-11-23-76(99)88-43-14-12-20-66(80(103)90-52-55-25-29-56(30-26-55)57-32-39-72(97)62(48-57)69-49-59-47-58(79(86)87)31-35-65(59)91-69)92-77(100)24-10-7-6-9-22-75(98)89-44-15-13-21-67(81(104)105)93-83(108)94-68(82(106)107)36-42-78(101)102/h25-35,37-41,46-51,66-68H,6-24,36,42-45,52H2,1-5H3,(H15-,86,87,88,89,90,91,92,93,94,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114)/p-1
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n/an/a 28n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of PSMA (unknown origin) assessed as reduction in glutamate formation using NAAG as substrate preincubated for 30 mins followed by substra...


Eur J Med Chem 118: 208-218 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3HB6
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50106240
PNG
(6-Chloro-2-(2-hydroxy-biphenyl-3-yl)-1H-indole-5-c...)
Show SMILES NC(=N)c1cc2cc([nH]c2cc1Cl)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H16ClN3O/c22-17-11-18-13(9-16(17)21(23)24)10-19(25-18)15-8-4-7-14(20(15)26)12-5-2-1-3-6-12/h1-11,25-26H,(H3,23,24)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hepsin using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay


Eur J Med Chem 118: 208-218 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3HB6
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50187705
PNG
(CHEMBL3828668)
Show SMILES CN1\C(=C\C=C2/CCCC(\C=C\C3=[N+](CCCCCC(=O)NCCCCC(NC(=O)CCCCCCC(=O)NCCCCC(NC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(=O)NCc4ccc(cc4)-c4ccc(O)c(c4)-c4cc5cc(ccc5[nH]4)C(N)=N)c4ccc(cc4C3(C)C)S([O-])(=O)=O)=C2)C(C)(C)c2cc(ccc12)S([O-])(=O)=O |c:12,107|
Show InChI InChI=1/C85H105N11O18S2/c1-84(2)63-50-60(115(109,110)111)33-37-70(63)95(5)73(84)40-27-53-18-17-19-54(46-53)28-41-74-85(3,4)64-51-61(116(112,113)114)34-38-71(64)96(74)45-16-8-11-23-76(99)88-43-14-12-20-66(80(103)90-52-55-25-29-56(30-26-55)57-32-39-72(97)62(48-57)69-49-59-47-58(79(86)87)31-35-65(59)91-69)92-77(100)24-10-7-6-9-22-75(98)89-44-15-13-21-67(81(104)105)93-83(108)94-68(82(106)107)36-42-78(101)102/h25-35,37-41,46-51,66-68H,6-24,36,42-45,52H2,1-5H3,(H15-,86,87,88,89,90,91,92,93,94,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114)/p-1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hepsin using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay


Eur J Med Chem 118: 208-218 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3HB6
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50187711
PNG
(CHEMBL3827463)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(ccc1O)-c1ccc(F)cc1
Show InChI InChI=1S/C21H16FN3O/c22-16-5-1-12(2-6-16)13-4-8-20(26)17(10-13)19-11-15-9-14(21(23)24)3-7-18(15)25-19/h1-11,25-26H,(H3,23,24)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hepsin using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay


Eur J Med Chem 118: 208-218 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3HB6
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50187707
PNG
(CHEMBL3827292)
Show SMILES COc1ccc(cc1)-c1ccc(O)c(c1)-c1cc2cc(ccc2[nH]1)C(N)=N
Show InChI InChI=1S/C22H19N3O2/c1-27-17-6-2-13(3-7-17)14-5-9-21(26)18(11-14)20-12-16-10-15(22(23)24)4-8-19(16)25-20/h2-12,25-26H,1H3,(H3,23,24)
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n/an/a 7.30E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hepsin using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay


Eur J Med Chem 118: 208-218 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3HB6
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50187708
PNG
(CHEMBL3827374)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(ccc1O)-c1ccccc1
Show InChI InChI=1S/C21H17N3O/c22-21(23)15-6-8-18-16(10-15)12-19(24-18)17-11-14(7-9-20(17)25)13-4-2-1-3-5-13/h1-12,24-25H,(H3,22,23)
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n/an/a 8.90E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hepsin using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay


Eur J Med Chem 118: 208-218 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3HB6
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50187709
PNG
(CHEMBL3827645)
Show SMILES NCc1ccc(cc1)-c1ccc(O)c(c1)-c1cc2cc(ccc2[nH]1)C(N)=N
Show InChI InChI=1S/C22H20N4O/c23-12-13-1-3-14(4-2-13)15-6-8-21(27)18(10-15)20-11-17-9-16(22(24)25)5-7-19(17)26-20/h1-11,26-27H,12,23H2,(H3,24,25)
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n/an/a 9.30E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hepsin using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay


Eur J Med Chem 118: 208-218 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3HB6
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50187710
PNG
(CHEMBL3827788)
Show SMILES CC(C)(C)OC(=O)NCc1ccc(cc1)-c1ccc(O)c(c1)-c1cc2cc(ccc2[nH]1)C(N)=N
Show InChI InChI=1S/C27H28N4O3/c1-27(2,3)34-26(33)30-15-16-4-6-17(7-5-16)18-9-11-24(32)21(13-18)23-14-20-12-19(25(28)29)8-10-22(20)31-23/h4-14,31-32H,15H2,1-3H3,(H3,28,29)(H,30,33)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hepsin using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay


Eur J Med Chem 118: 208-218 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3HB6
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50187706
PNG
(CHEMBL3828589)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(ccc1O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H16F3N3O/c23-22(24,25)16-5-1-12(2-6-16)13-4-8-20(29)17(10-13)19-11-15-9-14(21(26)27)3-7-18(15)28-19/h1-11,28-29H,(H3,26,27)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hepsin using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay


Eur J Med Chem 118: 208-218 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3HB6
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50187713
PNG
(CHEMBL3828730)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(ccc1O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H16ClN3O/c22-16-5-1-12(2-6-16)13-4-8-20(26)17(10-13)19-11-15-9-14(21(23)24)3-7-18(15)25-19/h1-11,25-26H,(H3,23,24)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hepsin using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay


Eur J Med Chem 118: 208-218 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3HB6
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50102768
PNG
(2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine | C...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1ccccc1O
Show InChI InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)
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n/an/a 4.40E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hepsin using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay


Eur J Med Chem 118: 208-218 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3HB6
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50187712
PNG
(CHEMBL3828185)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(ccc1O)-c1cccs1
Show InChI InChI=1S/C19H15N3OS/c20-19(21)12-3-5-15-13(8-12)10-16(22-15)14-9-11(4-6-17(14)23)18-2-1-7-24-18/h1-10,22-23H,(H3,20,21)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hepsin using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay


Eur J Med Chem 118: 208-218 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3HB6
More data for this
Ligand-Target Pair