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6 similar compounds to monomer 50431213

Compile data set for download or QSAR
Wt: 828.0
BDBM20995
Wt: 858.0
BDBM20996
Wt: 842.0
BDBM21000
Wt: 2058.4
BDBM50326040
Wt: 1380.6
BDBM50431214
Wt: 1452.7
BDBM50431220

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 20995,20996,21000,50326040,50431214,50431220   
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
Cathepsin L1


(Homo sapiens (Human))
BDBM20996
PNG
((2R)-5-[(diaminomethylidene)amino]-N-[(1S)-2-(4-hy...)
Show SMILES COc1ccc(CSC[C@H](NC(=O)Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCc2ccccc2)cc1
Show InChI InChI=1S/C48H55N7O6S/c1-61-40-24-18-36(19-25-40)31-62-32-43(53-44(57)30-35-14-20-38(21-15-35)37-11-6-3-7-12-37)47(60)54-41(13-8-27-52-48(49)50)46(59)55-42(29-34-16-22-39(56)23-17-34)45(58)51-28-26-33-9-4-2-5-10-33/h2-7,9-12,14-25,41-43,56H,8,13,26-32H2,1H3,(H,51,58)(H,53,57)(H,54,60)(H,55,59)(H4,49,50,52)/t41-,42+,43+/m1/s1
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112 -9.48n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM20995
PNG
((2R)-2-[(2R)-3-(benzylsulfanyl)-2-[1-(4-phenylphen...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@H](CSCc1ccccc1)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C47H53N7O5S/c48-47(49)51-27-10-17-40(45(58)54-41(29-34-20-24-39(55)25-21-34)44(57)50-28-26-33-11-4-1-5-12-33)53-46(59)42(32-60-31-36-13-6-2-7-14-36)52-43(56)30-35-18-22-38(23-19-35)37-15-8-3-9-16-37/h1-9,11-16,18-25,40-42,55H,10,17,26-32H2,(H,50,57)(H,52,56)(H,53,59)(H,54,58)(H4,48,49,51)/t40-,41+,42+/m1/s1
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155 -9.28n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM21000
PNG
((2R)-5-[(diaminomethylidene)amino]-2-[(2R)-3-{[(4-...)
Show SMILES COc1ccc(CSC[C@H](NC(=O)Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCc2ccccc2)cc1
Show InChI InChI=1S/C48H55N7O5S/c1-60-40-25-21-37(22-26-40)32-61-33-43(53-44(56)31-36-19-23-39(24-20-36)38-16-9-4-10-17-38)47(59)54-41(18-11-28-52-48(49)50)46(58)55-42(30-35-14-7-3-8-15-35)45(57)51-29-27-34-12-5-2-6-13-34/h2-10,12-17,19-26,41-43H,11,18,27-33H2,1H3,(H,51,57)(H,53,56)(H,54,59)(H,55,58)(H4,49,50,52)/t41-,42+,43+/m1/s1
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464 -8.63n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM50431220
PNG
(CHEMBL2332610)
Show SMILES C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(CSC[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N4CCC[C@H]4C(=O)N2)cc(CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)c3
Show InChI InChI=1S/C64H93N17O16S3/c1-35-53(86)75-44(25-36-13-15-40(83)16-14-36)56(89)77-46(57(90)74-43(63(96)97)8-2-3-17-65)33-99-30-38-22-37-23-39(24-38)31-100-34-47(61(94)81-21-7-12-50(81)62(95)80-20-6-10-48(80)58(91)72-35)78-59(92)49-11-5-19-79(49)60(93)42(9-4-18-69-64(67)68)73-52(85)27-70-51(84)26-71-55(88)45(32-98-29-37)76-54(87)41(66)28-82/h13-16,22-24,35,41-50,82-83H,2-12,17-21,25-34,65-66H2,1H3,(H,70,84)(H,71,88)(H,72,91)(H,73,85)(H,74,90)(H,75,86)(H,76,87)(H,77,89)(H,78,92)(H,96,97)(H4,67,68,69)/t35-,41-,42?,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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3.10E+3n/an/an/an/an/an/an/an/a



Ecole Polytechnique F�d�rale de Lausanne EPFL

Curated by ChEMBL


Assay Description
Inhibition of human biotinylated beta factor 12a expressed in Escherichia coli TG1 using Z-Gly-Gly-Arg-AMC as substrate assessed as residual activity...


J Med Chem 56: 3742-6 (2013)


Article DOI: 10.1021/jm400236j
BindingDB Entry DOI: 10.7270/Q2GX4CXF
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50431214
PNG
(CHEMBL2332603)
Show SMILES C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(CSC[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N4CCC[C@H]4C(=O)N2)cc(CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCC(N)=O)c3
Show InChI InChI=1S/C60H85N17O15S3/c1-32-50(83)71-40(21-33-10-12-37(79)13-11-33)54(87)73-42(52(85)67-22-47(62)80)30-94-27-35-18-34-19-36(20-35)28-95-31-43(58(91)77-17-5-9-46(77)59(92)76-16-4-7-44(76)55(88)69-32)74-56(89)45-8-3-15-75(45)57(90)39(6-2-14-65-60(63)64)70-49(82)24-66-48(81)23-68-53(86)41(29-93-26-34)72-51(84)38(61)25-78/h10-13,18-20,32,38-46,78-79H,2-9,14-17,21-31,61H2,1H3,(H2,62,80)(H,66,81)(H,67,85)(H,68,86)(H,69,88)(H,70,82)(H,71,83)(H,72,84)(H,73,87)(H,74,89)(H4,63,64,65)/t32-,38-,39?,40-,41-,42-,43-,44-,45-,46-/m0/s1
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4.30E+3n/an/an/an/an/an/an/an/a



Ecole Polytechnique F�d�rale de Lausanne EPFL

Curated by ChEMBL


Assay Description
Inhibition of human plasmin using H-D-Val-Leu-Lys-AMC as substrate assessed as residual activity by fluorescence plate reader analysis


J Med Chem 56: 3742-6 (2013)


Article DOI: 10.1021/jm400236j
BindingDB Entry DOI: 10.7270/Q2GX4CXF
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50431220
PNG
(CHEMBL2332610)
Show SMILES C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(CSC[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N4CCC[C@H]4C(=O)N2)cc(CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)c3
Show InChI InChI=1S/C64H93N17O16S3/c1-35-53(86)75-44(25-36-13-15-40(83)16-14-36)56(89)77-46(57(90)74-43(63(96)97)8-2-3-17-65)33-99-30-38-22-37-23-39(24-38)31-100-34-47(61(94)81-21-7-12-50(81)62(95)80-20-6-10-48(80)58(91)72-35)78-59(92)49-11-5-19-79(49)60(93)42(9-4-18-69-64(67)68)73-52(85)27-70-51(84)26-71-55(88)45(32-98-29-37)76-54(87)41(66)28-82/h13-16,22-24,35,41-50,82-83H,2-12,17-21,25-34,65-66H2,1H3,(H,70,84)(H,71,88)(H,72,91)(H,73,85)(H,74,90)(H,75,86)(H,76,87)(H,77,89)(H,78,92)(H,96,97)(H4,67,68,69)/t35-,41-,42?,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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8.30E+3n/an/an/an/an/an/an/an/a



Ecole Polytechnique F�d�rale de Lausanne EPFL

Curated by ChEMBL


Assay Description
Inhibition of human plasmin using H-D-Val-Leu-Lys-AMC as substrate assessed as residual activity by fluorescence plate reader analysis


J Med Chem 56: 3742-6 (2013)


Article DOI: 10.1021/jm400236j
BindingDB Entry DOI: 10.7270/Q2GX4CXF
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50431220
PNG
(CHEMBL2332610)
Show SMILES C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(CSC[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N4CCC[C@H]4C(=O)N2)cc(CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)c3
Show InChI InChI=1S/C64H93N17O16S3/c1-35-53(86)75-44(25-36-13-15-40(83)16-14-36)56(89)77-46(57(90)74-43(63(96)97)8-2-3-17-65)33-99-30-38-22-37-23-39(24-38)31-100-34-47(61(94)81-21-7-12-50(81)62(95)80-20-6-10-48(80)58(91)72-35)78-59(92)49-11-5-19-79(49)60(93)42(9-4-18-69-64(67)68)73-52(85)27-70-51(84)26-71-55(88)45(32-98-29-37)76-54(87)41(66)28-82/h13-16,22-24,35,41-50,82-83H,2-12,17-21,25-34,65-66H2,1H3,(H,70,84)(H,71,88)(H,72,91)(H,73,85)(H,74,90)(H,75,86)(H,76,87)(H,77,89)(H,78,92)(H,96,97)(H4,67,68,69)/t35-,41-,42?,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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>1.20E+5n/an/an/an/an/an/an/an/a



Ecole Polytechnique F�d�rale de Lausanne EPFL

Curated by ChEMBL


Assay Description
Inhibition of human trypsin using Z-Gly-Gly-Arg-AMC as substrate assessed as residual activity by fluorescence plate reader analysis


J Med Chem 56: 3742-6 (2013)


Article DOI: 10.1021/jm400236j
BindingDB Entry DOI: 10.7270/Q2GX4CXF
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50431220
PNG
(CHEMBL2332610)
Show SMILES C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(CSC[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N4CCC[C@H]4C(=O)N2)cc(CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)c3
Show InChI InChI=1S/C64H93N17O16S3/c1-35-53(86)75-44(25-36-13-15-40(83)16-14-36)56(89)77-46(57(90)74-43(63(96)97)8-2-3-17-65)33-99-30-38-22-37-23-39(24-38)31-100-34-47(61(94)81-21-7-12-50(81)62(95)80-20-6-10-48(80)58(91)72-35)78-59(92)49-11-5-19-79(49)60(93)42(9-4-18-69-64(67)68)73-52(85)27-70-51(84)26-71-55(88)45(32-98-29-37)76-54(87)41(66)28-82/h13-16,22-24,35,41-50,82-83H,2-12,17-21,25-34,65-66H2,1H3,(H,70,84)(H,71,88)(H,72,91)(H,73,85)(H,74,90)(H,75,86)(H,76,87)(H,77,89)(H,78,92)(H,96,97)(H4,67,68,69)/t35-,41-,42?,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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>1.20E+5n/an/an/an/an/an/an/an/a



Ecole Polytechnique F�d�rale de Lausanne EPFL

Curated by ChEMBL


Assay Description
Inhibition of human tPA using Z-Gly-Gly-Arg-AMC as substrate assessed as residual activity by fluorometric analysis


J Med Chem 56: 3742-6 (2013)


Article DOI: 10.1021/jm400236j
BindingDB Entry DOI: 10.7270/Q2GX4CXF
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50431220
PNG
(CHEMBL2332610)
Show SMILES C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(CSC[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N4CCC[C@H]4C(=O)N2)cc(CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)c3
Show InChI InChI=1S/C64H93N17O16S3/c1-35-53(86)75-44(25-36-13-15-40(83)16-14-36)56(89)77-46(57(90)74-43(63(96)97)8-2-3-17-65)33-99-30-38-22-37-23-39(24-38)31-100-34-47(61(94)81-21-7-12-50(81)62(95)80-20-6-10-48(80)58(91)72-35)78-59(92)49-11-5-19-79(49)60(93)42(9-4-18-69-64(67)68)73-52(85)27-70-51(84)26-71-55(88)45(32-98-29-37)76-54(87)41(66)28-82/h13-16,22-24,35,41-50,82-83H,2-12,17-21,25-34,65-66H2,1H3,(H,70,84)(H,71,88)(H,72,91)(H,73,85)(H,74,90)(H,75,86)(H,76,87)(H,77,89)(H,78,92)(H,96,97)(H4,67,68,69)/t35-,41-,42?,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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>1.20E+5n/an/an/an/an/an/an/an/a



Ecole Polytechnique F�d�rale de Lausanne EPFL

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using Z-Gly-Gly-Arg-AMC as substrate assessed as residual activity by fluorescence plate reader analysis


J Med Chem 56: 3742-6 (2013)


Article DOI: 10.1021/jm400236j
BindingDB Entry DOI: 10.7270/Q2GX4CXF
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50431220
PNG
(CHEMBL2332610)
Show SMILES C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(CSC[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N4CCC[C@H]4C(=O)N2)cc(CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)c3
Show InChI InChI=1S/C64H93N17O16S3/c1-35-53(86)75-44(25-36-13-15-40(83)16-14-36)56(89)77-46(57(90)74-43(63(96)97)8-2-3-17-65)33-99-30-38-22-37-23-39(24-38)31-100-34-47(61(94)81-21-7-12-50(81)62(95)80-20-6-10-48(80)58(91)72-35)78-59(92)49-11-5-19-79(49)60(93)42(9-4-18-69-64(67)68)73-52(85)27-70-51(84)26-71-55(88)45(32-98-29-37)76-54(87)41(66)28-82/h13-16,22-24,35,41-50,82-83H,2-12,17-21,25-34,65-66H2,1H3,(H,70,84)(H,71,88)(H,72,91)(H,73,85)(H,74,90)(H,75,86)(H,76,87)(H,77,89)(H,78,92)(H,96,97)(H4,67,68,69)/t35-,41-,42?,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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>1.20E+5n/an/an/an/an/an/an/an/a



Ecole Polytechnique F�d�rale de Lausanne EPFL

Curated by ChEMBL


Assay Description
Inhibition of human PK using Z-Phe-Arg-AMC as substrate assessed as residual activity by fluorometric analysis


J Med Chem 56: 3742-6 (2013)


Article DOI: 10.1021/jm400236j
BindingDB Entry DOI: 10.7270/Q2GX4CXF
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50431220
PNG
(CHEMBL2332610)
Show SMILES C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(CSC[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N4CCC[C@H]4C(=O)N2)cc(CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)c3
Show InChI InChI=1S/C64H93N17O16S3/c1-35-53(86)75-44(25-36-13-15-40(83)16-14-36)56(89)77-46(57(90)74-43(63(96)97)8-2-3-17-65)33-99-30-38-22-37-23-39(24-38)31-100-34-47(61(94)81-21-7-12-50(81)62(95)80-20-6-10-48(80)58(91)72-35)78-59(92)49-11-5-19-79(49)60(93)42(9-4-18-69-64(67)68)73-52(85)27-70-51(84)26-71-55(88)45(32-98-29-37)76-54(87)41(66)28-82/h13-16,22-24,35,41-50,82-83H,2-12,17-21,25-34,65-66H2,1H3,(H,70,84)(H,71,88)(H,72,91)(H,73,85)(H,74,90)(H,75,86)(H,76,87)(H,77,89)(H,78,92)(H,96,97)(H4,67,68,69)/t35-,41-,42?,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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>1.20E+5n/an/an/an/an/an/an/an/a



Ecole Polytechnique F�d�rale de Lausanne EPFL

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using Boc-Phe-Ser-Arg-AMC as substrate assessed as residual activity by fluorometric analysis


J Med Chem 56: 3742-6 (2013)


Article DOI: 10.1021/jm400236j
BindingDB Entry DOI: 10.7270/Q2GX4CXF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50431220
PNG
(CHEMBL2332610)
Show SMILES C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(CSC[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N4CCC[C@H]4C(=O)N2)cc(CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)c3
Show InChI InChI=1S/C64H93N17O16S3/c1-35-53(86)75-44(25-36-13-15-40(83)16-14-36)56(89)77-46(57(90)74-43(63(96)97)8-2-3-17-65)33-99-30-38-22-37-23-39(24-38)31-100-34-47(61(94)81-21-7-12-50(81)62(95)80-20-6-10-48(80)58(91)72-35)78-59(92)49-11-5-19-79(49)60(93)42(9-4-18-69-64(67)68)73-52(85)27-70-51(84)26-71-55(88)45(32-98-29-37)76-54(87)41(66)28-82/h13-16,22-24,35,41-50,82-83H,2-12,17-21,25-34,65-66H2,1H3,(H,70,84)(H,71,88)(H,72,91)(H,73,85)(H,74,90)(H,75,86)(H,76,87)(H,77,89)(H,78,92)(H,96,97)(H4,67,68,69)/t35-,41-,42?,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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>1.20E+5n/an/an/an/an/an/an/an/a



Ecole Polytechnique F�d�rale de Lausanne EPFL

Curated by ChEMBL


Assay Description
Inhibition of human uPA using Z-Gly-Gly-Arg-AMC as substrate assessed as residual activity by fluorometric analysis


J Med Chem 56: 3742-6 (2013)


Article DOI: 10.1021/jm400236j
BindingDB Entry DOI: 10.7270/Q2GX4CXF
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50326040
PNG
(CHEMBL1240598)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N2)cc(CSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC1=O)[C@@H](C)CC)C(=O)NCC(N)=O)c3
Show InChI InChI=1S/C92H136N24O24S3/c1-7-47(3)72-87(137)107-62(38-51-16-10-9-11-17-51)89(139)115-32-14-20-67(115)84(134)110-64(76(126)101-39-69(94)120)44-141-41-53-34-54-36-55(35-53)43-143-46-66(90(140)116-33-15-21-68(116)85(135)113-73(48(4)8-2)86(136)104-60(80(130)112-72)27-29-71(123)124)111-81(131)61(37-52-22-24-56(119)25-23-52)106-78(128)58(19-13-31-100-92(97)98)102-77(127)57(18-12-30-99-91(95)96)103-79(129)59(26-28-70(121)122)105-88(138)74(50(6)118)114-82(132)63(40-117)108-83(133)65(45-142-42-54)109-75(125)49(5)93/h9-11,16-17,22-25,34-36,47-50,57-68,72-74,117-119H,7-8,12-15,18-21,26-33,37-46,93H2,1-6H3,(H2,94,120)(H,101,126)(H,102,127)(H,103,129)(H,104,136)(H,105,138)(H,106,128)(H,107,137)(H,108,133)(H,109,125)(H,110,134)(H,111,131)(H,112,130)(H,113,135)(H,114,132)(H,121,122)(H,123,124)(H4,95,96,99)(H4,97,98,100)/t47-,48-,49-,50-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,72-,73?,74-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Laboratory of Molecular Biology, Medical Research Council

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using Z-Phe-Arg-AMC substrate after 30 mins by spectrophotometric assay


Nat Chem Biol 5: 502-7 (2009)


Article DOI: 10.1038/nchembio.184
BindingDB Entry DOI: 10.7270/Q2Z60P9P
More data for this
Ligand-Target Pair