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PubMed code 25882520

Compile data set for download or QSAR
Found 64 hits of Enzyme Inhibition Constant Data   
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
Matriptase


(Homo sapiens (Human))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7]
Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
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0.0200n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


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


(Homo sapiens (Human))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7]
Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
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0.530n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM23887
PNG
(3-amidinophenylalanine deriv., 31 | 4-({4-[(2S)-3-...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C(N)=N |r|
Show InChI InChI=1S/C36H54N8O4S/c1-22(2)28-20-29(23(3)4)32(30(21-28)24(5)6)49(47,48)41-31(19-25-8-7-9-27(18-25)33(37)38)35(46)43-16-14-42(15-17-43)34(45)26-10-12-44(13-11-26)36(39)40/h7-9,18,20-24,26,31,41H,10-17,19H2,1-6H3,(H3,37,38)(H3,39,40)/t31-/m0/s1
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4.30n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7]
Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
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25n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells using Boc-QLR-AMC as substrate incu...


Bioorg Med Chem 23: 2328-43 (2015)


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


(Homo sapiens (Human))
BDBM50069115
PNG
(CHEMBL3403531)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)NCc2ccc(Br)cc2)c1 |r|
Show InChI InChI=1/C32H33BrN6O4S/c33-27-11-8-22(9-12-27)21-36-32(41)39-16-14-38(15-17-39)31(40)29(19-23-4-3-7-26(18-23)30(34)35)37-44(42,43)28-13-10-24-5-1-2-6-25(24)20-28/h1-13,18,20,29,37H,14-17,19,21H2,(H3,34,35)(H,36,41)/t29-/s2
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48n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM23886
PNG
(3-[(2S)-3-oxo-3-[4-(piperidin-4-ylcarbonyl)piperaz...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)C1CCNCC1 |r|
Show InChI InChI=1S/C35H52N6O4S/c1-22(2)28-20-29(23(3)4)32(30(21-28)24(5)6)46(44,45)39-31(19-25-8-7-9-27(18-25)33(36)37)35(43)41-16-14-40(15-17-41)34(42)26-10-12-38-13-11-26/h7-9,18,20-24,26,31,38-39H,10-17,19H2,1-6H3,(H3,36,37)/t31-/m0/s1
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120n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50069119
PNG
(CHEMBL3403528)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(CC2)c2ccccc2)c1 |r|
Show InChI InChI=1/C31H32N4O3S/c32-30(33)27-12-6-7-22(19-27)20-29(31(36)35-17-15-25(16-18-35)23-8-2-1-3-9-23)34-39(37,38)28-14-13-24-10-4-5-11-26(24)21-28/h1-14,19,21,25,29,34H,15-18,20H2,(H3,32,33)/t29-/s2
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300n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50069114
PNG
(CHEMBL3403532)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)c1ccccc1 |r|
Show InChI InChI=1/C28H32N4O3S/c1-20-10-12-25(13-11-20)36(34,35)31-26(19-21-6-5-9-24(18-21)27(29)30)28(33)32-16-14-23(15-17-32)22-7-3-2-4-8-22/h2-13,18,23,26,31H,14-17,19H2,1H3,(H3,29,30)/t26-/s2
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480n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


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


(Homo sapiens (Human))
BDBM50069121
PNG
(CHEMBL3403521)
Show SMILES CCc1cc(cc2c(C)coc12)C(Nc1ccc(cc1)C(N)=N)C(=O)NS(=O)(=O)c1cn(C)cn1
Show InChI InChI=1/C24H26N6O4S/c1-4-15-9-17(10-19-14(2)12-34-22(15)19)21(28-18-7-5-16(6-8-18)23(25)26)24(31)29-35(32,33)20-11-30(3)13-27-20/h5-13,21,28H,4H2,1-3H3,(H3,25,26)(H,29,31)
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553n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069105
PNG
(CHEMBL3403520)
Show SMILES CCc1cc(cc2c(C)coc12)[C@@H](Nc1ccc(cc1)C(N)=N)C(=O)NS(=O)(=O)c1cn(C)cn1 |r|
Show InChI InChI=1/C24H26N6O4S/c1-4-15-9-17(10-19-14(2)12-34-22(15)19)21(28-18-7-5-16(6-8-18)23(25)26)24(31)29-35(32,33)20-11-30(3)13-27-20/h5-13,21,28H,4H2,1-3H3,(H3,25,26)(H,29,31)/t21-/s2
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590n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HGFA (unknown origin) after 40 mins by Eadie-Hofstee plot analysis


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50069106
PNG
(CHEMBL3402439)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1/C29H33N5O5S/c1-21-10-12-25(13-11-21)40(37,38)32-26(19-23-8-5-9-24(18-23)27(30)31)28(35)33-14-16-34(17-15-33)29(36)39-20-22-6-3-2-4-7-22/h2-13,18,26,32H,14-17,19-20H2,1H3,(H3,30,31)/t26-/s2
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620n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


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


(Homo sapiens (Human))
BDBM50069113
PNG
(CHEMBL3403533)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)NCCc1ccccc1 |r|
Show InChI InChI=1/C30H36N6O4S/c1-22-10-12-26(13-11-22)41(39,40)34-27(21-24-8-5-9-25(20-24)28(31)32)29(37)35-16-18-36(19-17-35)30(38)33-15-14-23-6-3-2-4-7-23/h2-13,20,27,34H,14-19,21H2,1H3,(H3,31,32)(H,33,38)/t27-/s2
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670n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50069122
PNG
(CHEMBL3402440)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1/C35H47N5O3S/c1-23(2)28-21-30(24(3)4)33(31(22-28)25(5)6)44(42,43)38-32(20-26-11-10-12-27(19-26)34(36)37)35(41)40-17-15-39(16-18-40)29-13-8-7-9-14-29/h7-14,19,21-25,32,38H,15-18,20H2,1-6H3,(H3,36,37)/t32-/s2
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760n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


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


(Homo sapiens (Human))
BDBM50112086
PNG
(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)
Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1
Show InChI InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)
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835n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


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


(Homo sapiens (Human))
BDBM50069117
PNG
(CHEMBL3403529)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)NCc2ccccc2)c1 |r|
Show InChI InChI=1/C32H34N6O4S/c33-30(34)27-12-6-9-24(19-27)20-29(36-43(41,42)28-14-13-25-10-4-5-11-26(25)21-28)31(39)37-15-17-38(18-16-37)32(40)35-22-23-7-2-1-3-8-23/h1-14,19,21,29,36H,15-18,20,22H2,(H3,33,34)(H,35,40)/t29-/s2
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1.00E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50069116
PNG
(CHEMBL3403530)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC[C@@H](C1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1/C30H35N5O5S/c1-21-12-14-26(15-13-21)41(38,39)34-27(18-23-9-5-10-24(17-23)28(31)32)29(36)35-16-6-11-25(19-35)33-30(37)40-20-22-7-3-2-4-8-22/h2-5,7-10,12-15,17,25,27,34H,6,11,16,18-20H2,1H3,(H3,31,32)(H,33,37)/t25-,27-/s2
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1.20E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


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


(Homo sapiens (Human))
BDBM50069112
PNG
(CHEMBL3400827)
Show SMILES CCCCCCNC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1/C31H40N6O4S/c1-2-3-4-7-15-34-31(39)37-18-16-36(17-19-37)30(38)28(21-23-9-8-12-26(20-23)29(32)33)35-42(40,41)27-14-13-24-10-5-6-11-25(24)22-27/h5-6,8-14,20,22,28,35H,2-4,7,15-19,21H2,1H3,(H3,32,33)(H,34,39)/t28-/s2
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1.20E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50069110
PNG
(CHEMBL3402437)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)c2csc3ccccc23)c1 |r|
Show InChI InChI=1/C33H31N5O4S2/c34-31(35)25-9-5-6-22(18-25)19-29(36-44(41,42)26-13-12-23-7-1-2-8-24(23)20-26)33(40)38-16-14-37(15-17-38)32(39)28-21-43-30-11-4-3-10-27(28)30/h1-13,18,20-21,29,36H,14-17,19H2,(H3,34,35)/t29-/s2
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1.50E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


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


(Homo sapiens (Human))
BDBM23887
PNG
(3-amidinophenylalanine deriv., 31 | 4-({4-[(2S)-3-...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C(N)=N |r|
Show InChI InChI=1S/C36H54N8O4S/c1-22(2)28-20-29(23(3)4)32(30(21-28)24(5)6)49(47,48)41-31(19-25-8-7-9-27(18-25)33(37)38)35(46)43-16-14-42(15-17-43)34(45)26-10-12-44(13-11-26)36(39)40/h7-9,18,20-24,26,31,41H,10-17,19H2,1-6H3,(H3,37,38)(H3,39,40)/t31-/m0/s1
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1.58E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50069107
PNG
(CHEMBL356792)
Show SMILES [H][C@@](Cc1cccc(c1)C(N)=N)(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C30H31N5O3S/c31-29(32)25-10-6-7-22(19-25)20-28(30(36)35-17-15-34(16-18-35)26-11-2-1-3-12-26)33-39(37,38)27-14-13-23-8-4-5-9-24(23)21-27/h1-14,19,21,28,33H,15-18,20H2,(H3,31,32)/t28-/m0/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


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


(Homo sapiens (Human))
BDBM50069116
PNG
(CHEMBL3403530)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC[C@@H](C1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1/C30H35N5O5S/c1-21-12-14-26(15-13-21)41(38,39)34-27(18-23-9-5-10-24(17-23)28(31)32)29(36)35-16-6-11-25(19-35)33-30(37)40-20-22-7-3-2-4-8-22/h2-5,7-10,12-15,17,25,27,34H,6,11,16,18-20H2,1H3,(H3,31,32)(H,33,37)/t25-,27-/s2
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2.30E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


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


(Homo sapiens (Human))
BDBM50069106
PNG
(CHEMBL3402439)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1/C29H33N5O5S/c1-21-10-12-25(13-11-21)40(37,38)32-26(19-23-8-5-9-24(18-23)27(30)31)28(35)33-14-16-34(17-15-33)29(36)39-20-22-6-3-2-4-7-22/h2-13,18,26,32H,14-17,19-20H2,1H3,(H3,30,31)/t26-/s2
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2.40E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50069113
PNG
(CHEMBL3403533)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)NCCc1ccccc1 |r|
Show InChI InChI=1/C30H36N6O4S/c1-22-10-12-26(13-11-22)41(39,40)34-27(21-24-8-5-9-25(20-24)28(31)32)29(37)35-16-18-36(19-17-35)30(38)33-15-14-23-6-3-2-4-7-23/h2-13,20,27,34H,14-19,21H2,1H3,(H3,31,32)(H,33,38)/t27-/s2
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2.50E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


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


(Homo sapiens (Human))
BDBM50069109
PNG
(CHEMBL3402438)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC[C@H](C2)NC(=O)OCc2ccccc2)c1 |r|
Show InChI InChI=1/C33H35N5O5S/c34-31(35)27-13-6-10-24(18-27)19-30(37-44(41,42)29-16-15-25-11-4-5-12-26(25)20-29)32(39)38-17-7-14-28(21-38)36-33(40)43-22-23-8-2-1-3-9-23/h1-6,8-13,15-16,18,20,28,30,37H,7,14,17,19,21-22H2,(H3,34,35)(H,36,40)/t28-,30+/s2
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2.60E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50069117
PNG
(CHEMBL3403529)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)NCc2ccccc2)c1 |r|
Show InChI InChI=1/C32H34N6O4S/c33-30(34)27-12-6-9-24(19-27)20-29(36-43(41,42)28-14-13-25-10-4-5-11-26(25)21-28)31(39)37-15-17-38(18-16-37)32(40)35-22-23-7-2-1-3-8-23/h1-14,19,21,29,36H,15-18,20,22H2,(H3,33,34)(H,35,40)/t29-/s2
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2.60E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


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


(Homo sapiens (Human))
BDBM50069119
PNG
(CHEMBL3403528)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(CC2)c2ccccc2)c1 |r|
Show InChI InChI=1/C31H32N4O3S/c32-30(33)27-12-6-7-22(19-27)20-29(31(36)35-17-15-25(16-18-35)23-8-2-1-3-9-23)34-39(37,38)28-14-13-24-10-4-5-11-26(24)21-28/h1-14,19,21,25,29,34H,15-18,20H2,(H3,32,33)/t29-/s2
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3.30E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM7840
PNG
(RIVAROXABAN | US8822458, 44 | US8822458, 97)
Show SMILES Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
Show InChI InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1
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3.35E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


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


(Homo sapiens (Human))
BDBM50069110
PNG
(CHEMBL3402437)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)c2csc3ccccc23)c1 |r|
Show InChI InChI=1/C33H31N5O4S2/c34-31(35)25-9-5-6-22(18-25)19-29(36-44(41,42)26-13-12-23-7-1-2-8-24(23)20-26)33(40)38-16-14-37(15-17-38)32(39)28-21-43-30-11-4-3-10-27(28)30/h1-13,18,20-21,29,36H,14-17,19H2,(H3,34,35)/t29-/s2
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3.50E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50069115
PNG
(CHEMBL3403531)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)NCc2ccc(Br)cc2)c1 |r|
Show InChI InChI=1/C32H33BrN6O4S/c33-27-11-8-22(9-12-27)21-36-32(41)39-16-14-38(15-17-39)31(40)29(19-23-4-3-7-26(18-23)30(34)35)37-44(42,43)28-13-10-24-5-1-2-6-25(24)20-28/h1-13,18,20,29,37H,14-17,19,21H2,(H3,34,35)(H,36,41)/t29-/s2
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4.60E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


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


(Homo sapiens (Human))
BDBM50069114
PNG
(CHEMBL3403532)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)c1ccccc1 |r|
Show InChI InChI=1/C28H32N4O3S/c1-20-10-12-25(13-11-20)36(34,35)31-26(19-21-6-5-9-24(18-21)27(29)30)28(33)32-16-14-23(15-17-32)22-7-3-2-4-8-22/h2-13,18,23,26,31H,14-17,19H2,1H3,(H3,29,30)/t26-/s2
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4.70E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM23886
PNG
(3-[(2S)-3-oxo-3-[4-(piperidin-4-ylcarbonyl)piperaz...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)C1CCNCC1 |r|
Show InChI InChI=1S/C35H52N6O4S/c1-22(2)28-20-29(23(3)4)32(30(21-28)24(5)6)46(44,45)39-31(19-25-8-7-9-27(18-25)33(36)37)35(43)41-16-14-40(15-17-41)34(42)26-10-12-38-13-11-26/h7-9,18,20-24,26,31,38-39H,10-17,19H2,1-6H3,(H3,36,37)/t31-/m0/s1
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5.50E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells using Boc-QLR-AMC as substrate incu...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50069109
PNG
(CHEMBL3402438)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC[C@H](C2)NC(=O)OCc2ccccc2)c1 |r|
Show InChI InChI=1/C33H35N5O5S/c34-31(35)27-13-6-10-24(18-27)19-30(37-44(41,42)29-16-15-25-11-4-5-12-26(25)20-29)32(39)38-17-7-14-28(21-38)36-33(40)43-22-23-8-2-1-3-9-23/h1-6,8-13,15-16,18,20,28,30,37H,7,14,17,19,21-22H2,(H3,34,35)(H,36,40)/t28-,30+/s2
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6.70E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


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


(Homo sapiens (Human))
BDBM50069107
PNG
(CHEMBL356792)
Show SMILES [H][C@@](Cc1cccc(c1)C(N)=N)(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C30H31N5O3S/c31-29(32)25-10-6-7-22(19-25)20-28(30(36)35-17-15-34(16-18-35)26-11-2-1-3-12-26)33-39(37,38)27-14-13-23-8-4-5-9-24(23)21-27/h1-14,19,21,28,33H,15-18,20H2,(H3,31,32)/t28-/m0/s1
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7.00E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069121
PNG
(CHEMBL3403521)
Show SMILES CCc1cc(cc2c(C)coc12)C(Nc1ccc(cc1)C(N)=N)C(=O)NS(=O)(=O)c1cn(C)cn1
Show InChI InChI=1/C24H26N6O4S/c1-4-15-9-17(10-19-14(2)12-34-22(15)19)21(28-18-7-5-16(6-8-18)23(25)26)24(31)29-35(32,33)20-11-30(3)13-27-20/h5-13,21,28H,4H2,1-3H3,(H3,25,26)(H,29,31)
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7.10E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells using Boc-QLR-AMC as substrate incu...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50069121
PNG
(CHEMBL3403521)
Show SMILES CCc1cc(cc2c(C)coc12)C(Nc1ccc(cc1)C(N)=N)C(=O)NS(=O)(=O)c1cn(C)cn1
Show InChI InChI=1/C24H26N6O4S/c1-4-15-9-17(10-19-14(2)12-34-22(15)19)21(28-18-7-5-16(6-8-18)23(25)26)24(31)29-35(32,33)20-11-30(3)13-27-20/h5-13,21,28H,4H2,1-3H3,(H3,25,26)(H,29,31)
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7.18E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


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


(Homo sapiens (Human))
BDBM50069122
PNG
(CHEMBL3402440)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1/C35H47N5O3S/c1-23(2)28-21-30(24(3)4)33(31(22-28)25(5)6)44(42,43)38-32(20-26-11-10-12-27(19-26)34(36)37)35(41)40-17-15-39(16-18-40)29-13-8-7-9-14-29/h7-14,19,21-25,32,38H,15-18,20H2,1-6H3,(H3,36,37)/t32-/s2
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7.40E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


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


(Homo sapiens (Human))
BDBM23886
PNG
(3-[(2S)-3-oxo-3-[4-(piperidin-4-ylcarbonyl)piperaz...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)C1CCNCC1 |r|
Show InChI InChI=1S/C35H52N6O4S/c1-22(2)28-20-29(23(3)4)32(30(21-28)24(5)6)46(44,45)39-31(19-25-8-7-9-27(18-25)33(36)37)35(43)41-16-14-40(15-17-41)34(42)26-10-12-38-13-11-26/h7-9,18,20-24,26,31,38-39H,10-17,19H2,1-6H3,(H3,36,37)/t31-/m0/s1
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7.40E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069119
PNG
(CHEMBL3403528)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(CC2)c2ccccc2)c1 |r|
Show InChI InChI=1/C31H32N4O3S/c32-30(33)27-12-6-7-22(19-27)20-29(31(36)35-17-15-25(16-18-35)23-8-2-1-3-9-23)34-39(37,38)28-14-13-24-10-4-5-11-26(24)21-28/h1-14,19,21,25,29,34H,15-18,20H2,(H3,32,33)/t29-/s2
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1.01E+4n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells using Boc-QLR-AMC as substrate incu...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069117
PNG
(CHEMBL3403529)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)NCc2ccccc2)c1 |r|
Show InChI InChI=1/C32H34N6O4S/c33-30(34)27-12-6-9-24(19-27)20-29(36-43(41,42)28-14-13-25-10-4-5-11-26(25)21-28)31(39)37-15-17-38(18-16-37)32(40)35-22-23-7-2-1-3-8-23/h1-14,19,21,29,36H,15-18,20,22H2,(H3,33,34)(H,35,40)/t29-/s2
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1.40E+4n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells using Boc-QLR-AMC as substrate incu...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50069112
PNG
(CHEMBL3400827)
Show SMILES CCCCCCNC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1/C31H40N6O4S/c1-2-3-4-7-15-34-31(39)37-18-16-36(17-19-37)30(38)28(21-23-9-8-12-26(20-23)29(32)33)35-42(40,41)27-14-13-24-10-5-6-11-25(24)22-27/h5-6,8-14,20,22,28,35H,2-4,7,15-19,21H2,1H3,(H3,32,33)(H,34,39)/t28-/s2
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1.49E+4n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069115
PNG
(CHEMBL3403531)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)NCc2ccc(Br)cc2)c1 |r|
Show InChI InChI=1/C32H33BrN6O4S/c33-27-11-8-22(9-12-27)21-36-32(41)39-16-14-38(15-17-39)31(40)29(19-23-4-3-7-26(18-23)30(34)35)37-44(42,43)28-13-10-24-5-1-2-6-25(24)20-28/h1-13,18,20,29,37H,14-17,19,21H2,(H3,34,35)(H,36,41)/t29-/s2
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1.62E+4n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells using Boc-QLR-AMC as substrate incu...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM23887
PNG
(3-amidinophenylalanine deriv., 31 | 4-({4-[(2S)-3-...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C(N)=N |r|
Show InChI InChI=1S/C36H54N8O4S/c1-22(2)28-20-29(23(3)4)32(30(21-28)24(5)6)49(47,48)41-31(19-25-8-7-9-27(18-25)33(37)38)35(46)43-16-14-42(15-17-43)34(45)26-10-12-44(13-11-26)36(39)40/h7-9,18,20-24,26,31,41H,10-17,19H2,1-6H3,(H3,37,38)(H3,39,40)/t31-/m0/s1
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1.70E+4n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells using Boc-QLR-AMC as substrate incu...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069107
PNG
(CHEMBL356792)
Show SMILES [H][C@@](Cc1cccc(c1)C(N)=N)(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C30H31N5O3S/c31-29(32)25-10-6-7-22(19-25)20-28(30(36)35-17-15-34(16-18-35)26-11-2-1-3-12-26)33-39(37,38)27-14-13-23-8-4-5-9-24(23)21-27/h1-14,19,21,28,33H,15-18,20H2,(H3,31,32)/t28-/m0/s1
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1.82E+4n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells using Boc-QLR-AMC as substrate incu...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069114
PNG
(CHEMBL3403532)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)c1ccccc1 |r|
Show InChI InChI=1/C28H32N4O3S/c1-20-10-12-25(13-11-20)36(34,35)31-26(19-21-6-5-9-24(18-21)27(29)30)28(33)32-16-14-23(15-17-32)22-7-3-2-4-8-22/h2-13,18,23,26,31H,14-17,19H2,1H3,(H3,29,30)/t26-/s2
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2.00E+4n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells using Boc-QLR-AMC as substrate incu...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069122
PNG
(CHEMBL3402440)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1/C35H47N5O3S/c1-23(2)28-21-30(24(3)4)33(31(22-28)25(5)6)44(42,43)38-32(20-26-11-10-12-27(19-26)34(36)37)35(41)40-17-15-39(16-18-40)29-13-8-7-9-14-29/h7-14,19,21-25,32,38H,15-18,20H2,1-6H3,(H3,36,37)/t32-/s2
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2.22E+4n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells using Boc-QLR-AMC as substrate incu...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069109
PNG
(CHEMBL3402438)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC[C@H](C2)NC(=O)OCc2ccccc2)c1 |r|
Show InChI InChI=1/C33H35N5O5S/c34-31(35)27-13-6-10-24(18-27)19-30(37-44(41,42)29-16-15-25-11-4-5-12-26(25)20-29)32(39)38-17-7-14-28(21-38)36-33(40)43-22-23-8-2-1-3-9-23/h1-6,8-13,15-16,18,20,28,30,37H,7,14,17,19,21-22H2,(H3,34,35)(H,36,40)/t28-,30+/s2
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>5.00E+4n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells using Boc-QLR-AMC as substrate incu...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069112
PNG
(CHEMBL3400827)
Show SMILES CCCCCCNC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1/C31H40N6O4S/c1-2-3-4-7-15-34-31(39)37-18-16-36(17-19-37)30(38)28(21-23-9-8-12-26(20-23)29(32)33)35-42(40,41)27-14-13-24-10-5-6-11-25(24)22-27/h5-6,8-14,20,22,28,35H,2-4,7,15-19,21H2,1H3,(H3,32,33)(H,34,39)/t28-/s2
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>5.00E+4n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells using Boc-QLR-AMC as substrate incu...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069106
PNG
(CHEMBL3402439)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1/C29H33N5O5S/c1-21-10-12-25(13-11-21)40(37,38)32-26(19-23-8-5-9-24(18-23)27(30)31)28(35)33-14-16-34(17-15-33)29(36)39-20-22-6-3-2-4-7-22/h2-13,18,26,32H,14-17,19-20H2,1H3,(H3,30,31)/t26-/s2
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>5.00E+4n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells using Boc-QLR-AMC as substrate incu...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069113
PNG
(CHEMBL3403533)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)NCCc1ccccc1 |r|
Show InChI InChI=1/C30H36N6O4S/c1-22-10-12-26(13-11-22)41(39,40)34-27(21-24-8-5-9-25(20-24)28(31)32)29(37)35-16-18-36(19-17-35)30(38)33-15-14-23-6-3-2-4-7-23/h2-13,20,27,34H,14-19,21H2,1H3,(H3,31,32)(H,33,38)/t27-/s2
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>5.00E+4n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells using Boc-QLR-AMC as substrate incu...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069116
PNG
(CHEMBL3403530)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC[C@@H](C1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1/C30H35N5O5S/c1-21-12-14-26(15-13-21)41(38,39)34-27(18-23-9-5-10-24(17-23)28(31)32)29(36)35-16-6-11-25(19-35)33-30(37)40-20-22-7-3-2-4-8-22/h2-5,7-10,12-15,17,25,27,34H,6,11,16,18-20H2,1H3,(H3,31,32)(H,33,37)/t25-,27-/s2
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>5.00E+4n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells using Boc-QLR-AMC as substrate incu...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069110
PNG
(CHEMBL3402437)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)c2csc3ccccc23)c1 |r|
Show InChI InChI=1/C33H31N5O4S2/c34-31(35)25-9-5-6-22(18-25)19-29(36-44(41,42)26-13-12-23-7-1-2-8-24(23)20-26)33(40)38-16-14-37(15-17-38)32(39)28-21-43-30-11-4-3-10-27(28)30/h1-13,18,20-21,29,36H,14-17,19H2,(H3,34,35)/t29-/s2
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>5.00E+4n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells using Boc-QLR-AMC as substrate incu...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7]
Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
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n/an/a 150n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells incubated for 30 mins prior to crom...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069128
PNG
(CHEMBL3403524)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C14H11ClN4O4/c15-11-7-10(19(21)22)5-6-12(11)23-13(20)8-1-3-9(4-2-8)18-14(16)17/h1-7H,(H4,16,17,18)
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n/an/a 300n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells incubated for 30 mins prior to crom...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
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
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069127
PNG
(CHEMBL3403525)
Show SMILES COC(=O)c1ccc2cc(OC(=O)c3ccc(NC(N)=N)cc3)ccc2c1
Show InChI InChI=1S/C20H17N3O4/c1-26-18(24)15-3-2-14-11-17(9-6-13(14)10-15)27-19(25)12-4-7-16(8-5-12)23-20(21)22/h2-11H,1H3,(H4,21,22,23)
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n/an/a 600n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells incubated for 30 mins prior to crom...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069132
PNG
(CHEMBL550687)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N4O4/c15-14(16)17-10-3-1-9(2-4-10)13(19)22-12-7-5-11(6-8-12)18(20)21/h1-8H,(H4,15,16,17)
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n/an/a 820n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells incubated for 30 mins prior to crom...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069133
PNG
(CHEMBL1195245)
Show SMILES COC(=O)c1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1
Show InChI InChI=1S/C16H15N3O4/c1-22-14(20)10-4-8-13(9-5-10)23-15(21)11-2-6-12(7-3-11)19-16(17)18/h2-9H,1H3,(H4,17,18,19)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells incubated for 30 mins prior to crom...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069129
PNG
(CHEMBL3403523)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N4O4/c15-14(16)17-10-6-4-9(5-7-10)13(19)22-12-3-1-2-11(8-12)18(20)21/h1-8H,(H4,15,16,17)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells incubated for 30 mins prior to crom...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069131
PNG
(CHEMBL3403522)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C15H14N4O3/c16-13(20)9-3-7-12(8-4-9)22-14(21)10-1-5-11(6-2-10)19-15(17)18/h1-8H,(H2,16,20)(H4,17,18,19)
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n/an/a 6.80E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells incubated for 30 mins prior to crom...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50424712
PNG
(CAMOSTAT | Camostat Mesilate | Foipan)
Show SMILES [#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1
Show InChI InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells incubated for 30 mins prior to crom...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069124
PNG
(CHEMBL535214)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C14H14N4O/c15-14(16)18-12-8-6-10(7-9-12)13(19)17-11-4-2-1-3-5-11/h1-9H,(H,17,19)(H4,15,16,18)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells incubated for 30 mins prior to crom...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069123
PNG
(CHEMBL579653)
Show SMILES NC(=N)Nc1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H14N4O/c15-14(16)18-12-8-6-11(7-9-12)17-13(19)10-4-2-1-3-5-10/h1-9H,(H,17,19)(H4,15,16,18)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells incubated for 30 mins prior to crom...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069126
PNG
(CHEMBL3403526)
Show SMILES COC(=O)c1ccc2cc(NS(=O)(=O)c3ccc(NC(N)=N)cc3)ccc2c1
Show InChI InChI=1S/C19H18N4O4S/c1-27-18(24)14-3-2-13-11-16(5-4-12(13)10-14)23-28(25,26)17-8-6-15(7-9-17)22-19(20)21/h2-11,23H,1H3,(H4,20,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells incubated for 30 mins prior to crom...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069125
PNG
(CHEMBL3403527)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(NC(N)=N)cc1
Show InChI InChI=1S/C14H16N4O2S/c1-10-2-8-13(9-3-10)21(19,20)18-12-6-4-11(5-7-12)17-14(15)16/h2-9,18H,1H3,(H4,15,16,17)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells incubated for 30 mins prior to crom...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%