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Compile Data Set for Download or QSAR

Found 28 hits of ic50 for UniProtKB: P05981   
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
Hepsin


(Homo sapiens (human))
BDBM50041802
PNG
(1,8-dihydroxy-9(10H)-anthracenone | 1,8-dihydroxy-...)
Show SMILES Oc1cccc2Cc3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6,15-16H,7H2
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Fred Hutchinson Cancer Research Center

US Patent


Assay Description
To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...


US Patent US9182402 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NF7
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (human))
BDBM123129
PNG
(1-(3-nitro-phenyl)-pyrrole-2,5-dione (17) | CID236...)
Show SMILES [O-][N+](=O)c1cccc(c1)N1C(=O)C=CC1=O
Show InChI InChI=1S/C10H6N2O4/c13-9-4-5-10(14)11(9)7-2-1-3-8(6-7)12(15)16/h1-6H
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Fred Hutchinson Cancer Research Center

US Patent


Assay Description
To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...


US Patent US9182402 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NF7
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (human))
BDBM191639
PNG
(US9182402, 12)
Show SMILES Oc1cc(NC(=O)c2ccc(o2)-c2cccc(c2)[N+]([O-])=O)ccc1-c1nc2ccccc2o1
Show InChI InChI=1S/C24H15N3O6/c28-19-13-15(8-9-17(19)24-26-18-6-1-2-7-21(18)33-24)25-23(29)22-11-10-20(32-22)14-4-3-5-16(12-14)27(30)31/h1-13,28H,(H,25,29)
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Fred Hutchinson Cancer Research Center

US Patent


Assay Description
To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...


US Patent US9182402 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NF7
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (human))
BDBM50069104
PNG
(CHEMBL1449583 | US9182402, 4)
Show SMILES Cc1cccc(c1)C1Nc2cccc3cccc(N1)c23
Show InChI InChI=1S/C18H16N2/c1-12-5-2-8-14(11-12)18-19-15-9-3-6-13-7-4-10-16(20-18)17(13)15/h2-11,18-20H,1H3
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n/an/a 350n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of hepsin (unknown origin)


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
BindingDB Entry DOI: 10.7270/Q23F4RB4
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (human))
BDBM50069104
PNG
(CHEMBL1449583 | US9182402, 4)
Show SMILES Cc1cccc(c1)C1Nc2cccc3cccc(N1)c23
Show InChI InChI=1S/C18H16N2/c1-12-5-2-8-14(11-12)18-19-15-9-3-6-13-7-4-10-16(20-18)17(13)15/h2-11,18-20H,1H3
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Fred Hutchinson Cancer Research Center

US Patent


Assay Description
To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...


US Patent US9182402 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NF7
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (human))
BDBM50007260
PNG
(2,6-Di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydrox...)
Show SMILES CC(C)(Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3
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Fred Hutchinson Cancer Research Center

US Patent


Assay Description
To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...


US Patent US9182402 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NF7
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (human))
BDBM191631
PNG
(US9182402, 5)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1Nc2c(cccc2C(F)(F)F)C2C=CCC12
Show InChI InChI=1S/C19H15F3N2O2/c20-19(21,22)16-6-2-5-15-13-3-1-4-14(13)17(23-18(15)16)11-7-9-12(10-8-11)24(25)26/h1-3,5-10,13-14,17,23H,4H2
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Fred Hutchinson Cancer Research Center

US Patent


Assay Description
To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...


US Patent US9182402 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NF7
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (human))
BDBM191635
PNG
(US9182402, 8)
Show SMILES Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccc(Br)cc2)cc1Cl
Show InChI InChI=1S/C15H9BrCl2N4OS/c16-9-3-1-8(2-4-9)13-21-22-15(24-13)20-14(23)19-10-5-6-11(17)12(18)7-10/h1-7H,(H2,19,20,22,23)
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Fred Hutchinson Cancer Research Center

US Patent


Assay Description
To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...


US Patent US9182402 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NF7
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (human))
BDBM50013876
PNG
(CHEMBL291278 | Methyl aspartic acid | N-Methyl asp...)
Show SMILES CN[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
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Fred Hutchinson Cancer Research Center

US Patent


Assay Description
To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...


US Patent US9182402 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NF7
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (human))
BDBM191632
PNG
(US9182402, 2)
Show SMILES Cc1ccc(OCc2nnc(NC(=O)Nc3cccc(Cl)c3)s2)cc1C
Show InChI InChI=1S/C18H17ClN4O2S/c1-11-6-7-15(8-12(11)2)25-10-16-22-23-18(26-16)21-17(24)20-14-5-3-4-13(19)9-14/h3-9H,10H2,1-2H3,(H2,20,21,23,24)
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n/an/a 760n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

US Patent


Assay Description
To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...


US Patent US9182402 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NF7
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (human))
BDBM191637
PNG
(US9182402, 10)
Show SMILES CC1(C)Cc2oc3c(Br)cc(NS(=O)(=O)c4ccccc4)cc3c2C(=O)C1
Show InChI InChI=1S/C20H18BrNO4S/c1-20(2)10-16(23)18-14-8-12(9-15(21)19(14)26-17(18)11-20)22-27(24,25)13-6-4-3-5-7-13/h3-9,22H,10-11H2,1-2H3
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Fred Hutchinson Cancer Research Center

US Patent


Assay Description
To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...


US Patent US9182402 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NF7
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (human))
BDBM191636
PNG
(US9182402, 9)
Show SMILES Cc1csc(n1)-c1cc2ccc(OCc3c(F)c(F)c(F)c(F)c3F)cc2oc1=O
Show InChI InChI=1S/C20H10F5NO3S/c1-8-7-30-19(26-8)11-4-9-2-3-10(5-13(9)29-20(11)27)28-6-12-14(21)16(23)18(25)17(24)15(12)22/h2-5,7H,6H2,1H3
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Fred Hutchinson Cancer Research Center

US Patent


Assay Description
To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...


US Patent US9182402 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NF7
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (human))
BDBM191633
PNG
(US9182402, 6)
Show SMILES [O-][N+](=O)c1cccc(c1)C1Nc2ccc(Cl)cc2C2C=CCC12
Show InChI InChI=1S/C18H15ClN2O2/c19-12-7-8-17-16(10-12)14-5-2-6-15(14)18(20-17)11-3-1-4-13(9-11)21(22)23/h1-5,7-10,14-15,18,20H,6H2
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Fred Hutchinson Cancer Research Center

US Patent


Assay Description
To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...


US Patent US9182402 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NF7
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (human))
BDBM191638
PNG
(US9182402, 11)
Show SMILES COc1cccc(OCCOc2cccc(\C=c3/sc4nc5ccccc5n4c3=O)c2)c1
Show InChI InChI=1S/C25H20N2O4S/c1-29-18-7-5-9-20(16-18)31-13-12-30-19-8-4-6-17(14-19)15-23-24(28)27-22-11-3-2-10-21(22)26-25(27)32-23/h2-11,14-16H,12-13H2,1H3/b23-15-
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n/an/a 1.31E+3n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

US Patent


Assay Description
To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...


US Patent US9182402 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NF7
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (human))
BDBM191630
PNG
(US9182402, 3)
Show SMILES Brc1cccc(c1)N1C(=O)NC(=O)\C(=C/c2c[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C19H12BrN3O3/c20-12-4-3-5-13(9-12)23-18(25)15(17(24)22-19(23)26)8-11-10-21-16-7-2-1-6-14(11)16/h1-10,21H,(H,22,24,26)/b15-8+
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n/an/a 1.93E+3n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

US Patent


Assay Description
To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...


US Patent US9182402 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NF7
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (human))
BDBM81467
PNG
(CAS_569-65-3 | CHEMBL1085765 | Meclizine | NSC_403...)
Show SMILES Cc1cccc(CN2CCN(CC2)C(c2ccccc2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3
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n/an/a 2.02E+3n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

US Patent


Assay Description
To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...


US Patent US9182402 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NF7
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (human))
BDBM191634
PNG
(US9182402, 7)
Show SMILES Fc1cccc(c1)-c1nc2ccc(Cc3ccc4nc(oc(=O)c4c3)-c3cccc(F)c3)cc2c(=O)o1
Show InChI InChI=1S/C29H16F2N2O4/c30-20-5-1-3-18(14-20)26-32-24-9-7-16(12-22(24)28(34)36-26)11-17-8-10-25-23(13-17)29(35)37-27(33-25)19-4-2-6-21(31)15-19/h1-10,12-15H,11H2
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n/an/a 2.31E+3n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center

US Patent


Assay Description
To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...


US Patent US9182402 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NF7
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)


Article DOI: 10.1016/j.ejmech.2016.04.033
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
Show InChI InChI=1S/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)


Article DOI: 10.1016/j.ejmech.2016.04.033
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)


Article DOI: 10.1016/j.ejmech.2016.04.033
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)


Article DOI: 10.1016/j.ejmech.2016.04.033
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)


Article DOI: 10.1016/j.ejmech.2016.04.033
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)


Article DOI: 10.1016/j.ejmech.2016.04.033
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)


Article DOI: 10.1016/j.ejmech.2016.04.033
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)


Article DOI: 10.1016/j.ejmech.2016.04.033
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)


Article DOI: 10.1016/j.ejmech.2016.04.033
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)


Article DOI: 10.1016/j.ejmech.2016.04.033
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)


Article DOI: 10.1016/j.ejmech.2016.04.033
BindingDB Entry DOI: 10.7270/Q2TX3HB6
More data for this
Ligand-Target Pair