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Compile Data Set for Download or QSAR

Found 39 hits of ic50 data for polymerid = 10319,255,50000205   
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
Chymotrypsin-like elastase family member 1


(Homo sapiens (Human))		BDBM50326056
PNG
((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Show SMILES CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Pancreatic elastase 1

Antimicrob Agents Chemother 54: 305-11 (2009)


Article DOI: 10.1128/AAC.00677-09
BindingDB Entry DOI: 10.7270/Q2JW8F39
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM50312532
PNG
(CHEMBL1077010 | molassamide)
Show SMILES CCCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC(=O)\C(NC1=O)=C\C)C2=O)C(C)C |r|
Show InChI InChI=1S/C48H66N8O13/c1-9-14-36(59)49-26(5)41(61)53-39(27(6)57)44(64)54-40-28(7)69-48(68)38(25(3)4)52-43(63)34(23-30-17-19-31(58)20-18-30)55(8)47(67)35(24-29-15-12-11-13-16-29)56-37(60)22-21-33(46(56)66)51-42(62)32(10-2)50-45(40)65/h10-13,15-20,25-28,33-35,37-40,57-58,60H,9,14,21-24H2,1-8H3,(H,49,59)(H,50,65)(H,51,62)(H,52,63)(H,53,61)(H,54,64)/b32-10-/t26-,27+,28+,33-,34-,35-,37+,38-,39-,40-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Smithsonian Marine Station at Ft. Pierce

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic elastase preincubated for 15 mins by spectrophotometry

J Nat Prod 73: 459-62 (2010)


Article DOI: 10.1021/np900603f
BindingDB Entry DOI: 10.7270/Q2GH9J4Z
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Homo sapiens (Human))		BDBM50038879
PNG
((S)-2-(2-Formyl-pyrrolidine-1-carbonyl)-pyrrolidin...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1
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n/an/a 51.6n/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Inhibition of Flavobacterium meningosepticum PEP

J Nat Prod 65: 76-8 (2002)


BindingDB Entry DOI: 10.7270/Q23J3CRM
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Bovine)		BDBM65489
PNG
(MdnA7)
Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)OC(=O)C[C@@H]2NC(=O)[C@H]3COC(=O)CC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC2=O)C(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N3)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C85H108N18O25/c1-42(2)33-58-77(117)92-54-11-6-7-31-89-68(109)29-26-56(76(116)100-63(85(125)126)36-46-17-23-50(106)24-18-46)93-74(114)57-27-30-69(110)127-41-64(101-82(122)65-12-8-32-103(65)84(124)62(99-73(54)113)35-45-15-21-49(105)22-16-45)81(121)97-61(79(119)95-59(78(118)94-57)37-47-40-90-53-10-5-4-9-51(47)53)39-70(111)128-43(3)71(83(123)98-58)102-80(120)60(38-67(88)108)96-75(115)55(25-28-66(87)107)91-72(112)52(86)34-44-13-19-48(104)20-14-44/h4-5,9-10,13-24,40,42-43,52,54-65,71,90,104-106H,6-8,11-12,25-39,41,86H2,1-3H3,(H2,87,107)(H2,88,108)(H,89,109)(H,91,112)(H,92,117)(H,93,114)(H,94,118)(H,95,119)(H,96,115)(H,97,121)(H,98,123)(H,99,113)(H,100,116)(H,101,122)(H,102,120)(H,125,126)/t43?,52-,54-,55-,56-,57-,58+,59-,60+,61-,62-,63-,64+,65-,71-/m0/s1
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n/an/a 1.05E+3n/an/an/an/an/a37



University of Helsinki



Assay Description
The inhibition assays were performed in 96-well microtiter plates as follows: 30 uL of the enzyme solution (trypsin [100 ug/mL] or elastase [1.5 U/mL...

ACS Chem Biol 12: 1538-1546 (2017)


Article DOI: 10.1021/acschembio.7b00124
BindingDB Entry DOI: 10.7270/Q2XS5SJH
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Homo sapiens (Human))		BDBM50269565
PNG
(CHEMBL500199 | propeptin)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC1=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(O)=O |r,wU:95.99,87.91,75.78,64.67,130.139,123.135,109.115,161.173,146.158,41.51,8.16,52.59,19.20,4.4,wD:2.2,60.62,152.162,23.31,(3.85,-13.81,;5.2,-14.58,;6.54,-13.81,;6.54,-12.26,;7.87,-14.58,;7.87,-16.12,;9.21,-16.89,;10.54,-16.12,;9.21,-18.44,;7.87,-19.21,;7.87,-20.76,;9.21,-21.53,;9.21,-23.08,;7.87,-23.85,;6.53,-23.08,;6.53,-21.53,;10.54,-19.22,;11.87,-18.44,;11.87,-16.9,;13.2,-19.22,;14.54,-18.45,;15.88,-19.22,;15.88,-20.77,;17.21,-18.45,;17.21,-16.9,;15.88,-16.13,;14.46,-16.76,;13.42,-15.61,;14.2,-14.27,;15.7,-14.6,;18.54,-19.23,;19.86,-18.44,;19.86,-16.89,;21.21,-19.21,;22.55,-18.46,;23.89,-19.22,;23.89,-20.77,;25.23,-18.45,;26.57,-19.22,;27.9,-18.45,;27.9,-16.9,;29.24,-19.22,;29.24,-20.77,;27.9,-21.54,;26.55,-20.77,;25.22,-21.54,;25.22,-23.09,;26.55,-23.86,;27.9,-23.09,;30.58,-18.47,;30.55,-16.93,;29.22,-16.15,;31.9,-16.15,;33.23,-16.93,;33.23,-18.47,;34.57,-19.25,;31.9,-19.25,;31.92,-14.61,;33.24,-13.83,;34.59,-14.6,;33.24,-12.28,;34.34,-10.73,;35.43,-9.2,;35.51,-7.68,;36.71,-10.03,;36.63,-11.56,;37.91,-12.39,;37.83,-13.92,;39.12,-14.75,;39.05,-16.28,;40.33,-17.11,;37.97,-17.78,;38.08,-9.35,;38.15,-7.82,;36.86,-6.98,;39.51,-7.12,;40.79,-7.95,;40.71,-9.47,;39.35,-10.16,;39.27,-11.68,;40.55,-12.52,;40.76,-14.85,;41.91,-11.82,;41.99,-10.3,;40.87,-6.43,;40.95,-4.9,;42.23,-5.73,;41.03,-3.38,;42.39,-2.68,;43.67,-3.51,;45.31,-3.63,;43.59,-5.03,;39.75,-2.55,;38.38,-3.24,;38.31,-4.77,;37.1,-2.41,;37.18,-.88,;38.53,-.19,;39.89,-.88,;40.99,.2,;40.28,1.56,;40.82,2.98,;39.87,4.16,;38.35,3.91,;37.82,2.49,;38.78,1.32,;35.74,-3.11,;34.46,-2.27,;34.53,-.75,;33.09,-2.97,;31.88,-2.03,;31.81,-.51,;30.54,.34,;30.96,1.81,;32.49,1.88,;33.47,3.06,;34.98,2.81,;35.52,1.37,;34.53,.19,;33.01,.44,;33.12,-4.5,;31.79,-5.26,;31.76,-6.8,;30.49,-4.46,;29.99,-3,;28.45,-3.02,;28,-4.49,;29.25,-5.38,;29.27,-6.92,;30.61,-7.67,;27.95,-7.71,;26.63,-6.93,;25.29,-7.68,;23.98,-6.9,;22.65,-7.66,;22.63,-9.19,;21.3,-9.93,;23.95,-9.97,;25.27,-9.21,;27.94,-9.24,;29.27,-9.99,;29.27,-11.52,;30.59,-9.23,;31.93,-9.99,;31.93,-11.52,;30.6,-12.28,;13.2,-20.76,;14.54,-21.54,;11.86,-21.56,;9.22,-13.81,;10.55,-14.58,;9.18,-12.27,;10.52,-11.5,;11.86,-12.28,;13.19,-11.5,;10.52,-9.96,;11.86,-9.18,;9.18,-9.18,;7.76,-9.81,;6.73,-8.66,;7.5,-7.32,;9.02,-7.65,;10.17,-6.61,;9.83,-5.1,;11.64,-7.08,)|
Show InChI InChI=1S/C112H140N26O27/c1-6-60(4)92(106(159)133-85(57-139)110(163)138-41-19-30-87(138)111(164)165)134-102(155)79(44-63-22-11-8-12-23-63)132-107(160)93(61(5)140)135-103(156)82(49-68-53-115-58-122-68)123-89(144)55-119-88(143)54-120-95(148)77(43-62-20-9-7-10-21-62)126-97(150)76(42-59(2)3)131-108(161)94-105(158)121-56-90(145)124-84(46-65-33-37-70(142)38-34-65)109(162)137-40-18-29-86(137)104(157)130-81(48-67-52-118-74-27-16-14-25-72(67)74)100(153)128-80(47-66-51-117-73-26-15-13-24-71(66)73)99(152)129-83(50-91(146)147)101(154)127-78(45-64-31-35-69(141)36-32-64)98(151)125-75(96(149)136-94)28-17-39-116-112(113)114/h7-16,20-27,31-38,51-53,58-61,75-87,92-94,117-118,139-142H,6,17-19,28-30,39-50,54-57H2,1-5H3,(H,115,122)(H,119,143)(H,120,148)(H,121,158)(H,123,144)(H,124,145)(H,125,151)(H,126,150)(H,127,154)(H,128,153)(H,129,152)(H,130,157)(H,131,161)(H,132,160)(H,133,159)(H,134,155)(H,135,156)(H,136,149)(H,146,147)(H,164,165)(H4,113,114,116)/t60-,61+,75-,76-,77-,78?,79-,80-,81-,82-,83-,84-,85-,86-,87-,92-,93-,94-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Inhibition of Flavobacterium meningosepticum PEP

J Nat Prod 65: 76-8 (2002)


BindingDB Entry DOI: 10.7270/Q23J3CRM
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Homo sapiens (Human))		BDBM50269564
PNG
(5,6,5',6'-tetrahydroxy[3,3']bibenzofuranyl-2,2'-di...)
Show SMILES COC(=O)c1oc2cc(O)c(O)cc2c1-c1c(oc2cc(O)c(O)cc12)C(=O)OC |(-3.37,-.48,;-1.83,-.48,;-1.06,.86,;-1.83,2.19,;.49,.86,;1.39,2.1,;2.85,1.63,;4.17,2.4,;5.5,1.64,;6.83,2.42,;5.51,.1,;6.85,-.67,;4.18,-.67,;2.85,.09,;1.39,-.39,;.64,-1.73,;1.55,-2.99,;.64,-4.24,;-.84,-3.76,;-2.17,-4.53,;-3.51,-3.76,;-4.84,-4.53,;-3.5,-2.22,;-4.84,-1.45,;-2.17,-1.45,;-.84,-2.21,;3.09,-2.99,;3.86,-1.65,;3.86,-4.32,;3.09,-5.65,)|
Show InChI InChI=1S/C20H14O10/c1-27-19(25)17-15(7-3-9(21)11(23)5-13(7)29-17)16-8-4-10(22)12(24)6-14(8)30-18(16)20(26)28-2/h3-6,21-24H,1-2H3
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n/an/a 1.14E+3n/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Inhibition of Flavobacterium meningosepticum PEP

J Nat Prod 65: 76-8 (2002)


BindingDB Entry DOI: 10.7270/Q23J3CRM
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Homo sapiens (Human))		BDBM50269567
PNG
(CHEMBL515528 | Kynapcin-12)
Show SMILES CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(C)=O)c(O)c1-c1ccc(O)cc1
Show InChI InChI=1S/C22H18O8/c1-11(23)29-21-17(13-3-7-15(25)8-4-13)20(28)22(30-12(2)24)18(19(21)27)14-5-9-16(26)10-6-14/h3-10,25-28H,1-2H3
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n/an/a 1.25E+3n/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Inhibition of Flavobacterium meningosepticum PEP

J Nat Prod 65: 76-8 (2002)


BindingDB Entry DOI: 10.7270/Q23J3CRM
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Homo sapiens (Human))		BDBM50269566
PNG
(CHEMBL458248 | polyozellin)
Show SMILES CC(=O)Oc1c2oc3cc(O)c(O)cc3c2c(OC(C)=O)c2oc3cc(O)c(O)cc3c12
Show InChI InChI=1S/C22H14O10/c1-7(23)29-19-17-9-3-11(25)13(27)5-15(9)32-22(17)20(30-8(2)24)18-10-4-12(26)14(28)6-16(10)31-21(18)19/h3-6,25-28H,1-2H3
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n/an/a 2.72E+3n/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Inhibition of Flavobacterium meningosepticum PEP

J Nat Prod 65: 76-8 (2002)


BindingDB Entry DOI: 10.7270/Q23J3CRM
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Homo sapiens (Human))		BDBM50326055
PNG
((1R,21S,24S)-21-tert-Butyl-N-((1R,2R)-1-{[(cyclopr...)
Show SMILES CC(C)(C)[C@@H]1NC(=O)OCC(C)(C)CCCCc2cccc3CN(Cc23)C(=O)O[C@@H]2C[C@H](N(C2)C1=O)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C38H53N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h7,10,12-13,25-27,29-30H,1,8-9,11,14-22H2,2-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26-,29+,30-,38-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Pancreatic elastase 1

Antimicrob Agents Chemother 54: 305-11 (2009)


Article DOI: 10.1128/AAC.00677-09
BindingDB Entry DOI: 10.7270/Q2JW8F39
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Homo sapiens (Human))		BDBM12311
PNG
((1R,5S)-N-[3-Amino-1-(cyclobutylmethyl)-2,3-dioxop...)
Show SMILES CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Pancreatic elastase 1

Antimicrob Agents Chemother 54: 305-11 (2009)


Article DOI: 10.1128/AAC.00677-09
BindingDB Entry DOI: 10.7270/Q2JW8F39
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM50302107
PNG
(CHEMBL567893 | Grassystatin A)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O |r|
Show InChI InChI=1S/C58H95N9O16/c1-30(2)25-38(43(69)29-45(71)64-46(36(12)68)52(74)60-35(11)54(76)66(15)42(27-37-21-18-17-19-22-37)55(77)67-24-20-23-41(67)56(78)81-16)61-51(73)40(28-44(59)70)62-50(72)39(26-31(3)4)63-53(75)48(33(7)8)82-58(80)49(34(9)10)83-57(79)47(32(5)6)65(13)14/h17-19,21-22,30-36,38-43,46-49,68-69H,20,23-29H2,1-16H3,(H2,59,70)(H,60,74)(H,61,73)(H,62,72)(H,63,75)(H,64,71)/t35-,36+,38-,39-,40-,41-,42+,43-,46-,47-,48+,49-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic elastase after 10 to 15 mins by fluorescence assay

J Med Chem 52: 5732-47 (2009)


Article DOI: 10.1021/jm9009394
BindingDB Entry DOI: 10.7270/Q2BG2PXP
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Homo sapiens (Human))		BDBM50310584
PNG
(CHEMBL1078049 | N-(5-Chloro-pyridin-2-yl)-2-(4-{N-...)
Show SMILES NN(CC(=O)N1CSC[C@H]1C#N)C1CCN(CC(=O)Nc2ccc(Cl)cn2)CC1 |r|
Show InChI InChI=1S/C18H24ClN7O2S/c19-13-1-2-16(22-8-13)23-17(27)9-24-5-3-14(4-6-24)26(21)10-18(28)25-12-29-11-15(25)7-20/h1-2,8,14-15H,3-6,9-12,21H2,(H,22,23,27)/t15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Torrent Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of elastase

Bioorg Med Chem Lett 19: 5021-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.058
BindingDB Entry DOI: 10.7270/Q22R3RTT
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM237204
PNG
(Esculin laurate)
Show SMILES CCCCCCCCCCCC(=O)OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O
Show InChI InChI=1S/C27H38O10/c1-2-3-4-5-6-7-8-9-10-11-22(29)34-16-21-24(31)25(32)26(33)27(37-21)36-20-14-17-12-13-23(30)35-19(17)15-18(20)28/h12-15,21,24-28,31-33H,2-11,16H2,1H3
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Bovine)		BDBM65491
PNG
(MdnA8)
Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](C)N)C(C)OC(=O)C[C@@H]2NC(=O)[C@H]3COC(=O)CC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC2=O)C(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N3)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C70H90N14O20/c1-35(2)28-48-63(94)74-45-12-7-8-26-72-55(87)24-22-46(62(93)81-52(70(101)102)30-39-16-20-42(86)21-17-39)75-61(92)47-23-25-56(88)103-34-53(82-67(98)54-13-9-27-84(54)69(100)51(80-60(45)91)29-38-14-18-41(85)19-15-38)66(97)78-50(32-57(89)104-37(4)58(68(99)79-48)83-59(90)36(3)71)65(96)77-49(64(95)76-47)31-40-33-73-44-11-6-5-10-43(40)44/h5-6,10-11,14-21,33,35-37,45-54,58,73,85-86H,7-9,12-13,22-32,34,71H2,1-4H3,(H,72,87)(H,74,94)(H,75,92)(H,76,95)(H,77,96)(H,78,97)(H,79,99)(H,80,91)(H,81,93)(H,82,98)(H,83,90)(H,101,102)/t36-,37?,45+,46+,47+,48-,49+,50+,51+,52+,53-,54+,58+/m1/s1
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n/an/a 2.19E+4n/an/an/an/an/a37



University of Helsinki



Assay Description
The inhibition assays were performed in 96-well microtiter plates as follows: 30 uL of the enzyme solution (trypsin [100 ug/mL] or elastase [1.5 U/mL...

ACS Chem Biol 12: 1538-1546 (2017)


Article DOI: 10.1021/acschembio.7b00124
BindingDB Entry DOI: 10.7270/Q2XS5SJH
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM237205
PNG
(Esculin myristate)
Show SMILES CCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O
Show InChI InChI=1S/C29H42O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-24(31)36-18-23-26(33)27(34)28(35)29(39-23)38-22-16-19-14-15-25(32)37-21(19)17-20(22)30/h14-17,23,26-30,33-35H,2-13,18H2,1H3
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM237206
PNG
(Esculin palmitate)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H46O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26(33)38-20-25-28(35)29(36)30(37)31(41-25)40-24-18-21-16-17-27(34)39-23(21)19-22(24)32/h16-19,25,28-32,35-37H,2-15,20H2,1H3
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 5.00E+4n/an/an/an/a8.0n/a



Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM237207
PNG
(Esculin stearate)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O
Show InChI InChI=1S/C33H50O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(35)40-22-27-30(37)31(38)32(39)33(43-27)42-26-20-23-18-19-29(36)41-25(23)21-24(26)34/h18-21,27,30-34,37-39H,2-17,22H2,1H3
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM237198
PNG
(Phloridzin)
Show SMILES OCC1OC(Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)C(O)C(O)C1O
Show InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM237184
PNG
(Rutin)
Show SMILES CC1OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3
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n/an/a 1.00E+5n/an/an/an/a8.0n/a



Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM237203
PNG
(Esculin)
Show SMILES OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O
Show InChI InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM237201
PNG
(Phloridzin palmitate)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)C(O)C(O)C1O
Show InChI InChI=1S/C37H54O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-32(42)46-24-31-34(43)35(44)36(45)37(48-31)47-30-23-27(39)22-29(41)33(30)28(40)21-18-25-16-19-26(38)20-17-25/h16-17,19-20,22-23,31,34-39,41,43-45H,2-15,18,21,24H2,1H3
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM237202
PNG
(Phloridzin stearate)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)C(O)C(O)C1O
Show InChI InChI=1S/C39H58O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-34(44)48-26-33-36(45)37(46)38(47)39(50-33)49-32-25-29(41)24-31(43)35(32)30(42)23-20-27-18-21-28(40)22-19-27/h18-19,21-22,24-25,33,36-41,43,45-47H,2-17,20,23,26H2,1H3
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM237199
PNG
(Phloridzin laurate)
Show SMILES CCCCCCCCCCCC(=O)OCC1OC(Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)C(O)C(O)C1O
Show InChI InChI=1S/C33H46O11/c1-2-3-4-5-6-7-8-9-10-11-28(38)42-20-27-30(39)31(40)32(41)33(44-27)43-26-19-23(35)18-25(37)29(26)24(36)17-14-21-12-15-22(34)16-13-21/h12-13,15-16,18-19,27,30-35,37,39-41H,2-11,14,17,20H2,1H3
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM237197
PNG
(Rutin erucate)
Show SMILES CCCCCCCC\C=C/CCCCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C47H66O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35(52)63-43-27(2)60-46(42(58)40(43)56)59-26-34-37(53)39(55)41(57)47(62-34)64-45-38(54)36-32(51)24-29(48)25-33(36)61-44(45)28-21-22-30(49)31(50)23-28/h10-11,21-25,27,34,37,39-43,46-51,53,55-58H,3-9,12-20,26H2,1-2H3/b11-10-
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM237208
PNG
(4-Guanidinobenzoate)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(cc1)-[#6](-[#8])=O
Show InChI InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM237196
PNG
(Rutin arachidonate)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C46H58O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(51)62-42-26(2)59-45(41(57)39(42)55)58-25-33-36(52)38(54)40(56)46(61-33)63-44-37(53)35-31(50)23-28(47)24-32(35)60-43(44)27-20-21-29(48)30(49)22-27/h7-8,10-11,13-14,16-17,20-24,26,33,36,38-42,45-50,52,54-57H,3-6,9,12,15,18-19,25H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
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n/an/a>5.00E+5n/an/an/an/a8.0n/a



Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM237195
PNG
(Rutin linolenate)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C45H58O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33(50)61-41-25(2)58-44(40(56)38(41)54)57-24-32-35(51)37(53)39(55)45(60-32)62-43-36(52)34-30(49)22-27(46)23-31(34)59-42(43)26-19-20-28(47)29(48)21-26/h4-5,7-8,10-11,19-23,25,32,35,37-41,44-49,51,53-56H,3,6,9,12-18,24H2,1-2H3/b5-4-,8-7-,11-10-
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM237194
PNG
(Rutin linoleate)
Show SMILES CCCC\C=C/C\C=C/CCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C44H58O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-32(49)60-40-24(2)57-43(39(55)37(40)53)56-23-31-34(50)36(52)38(54)44(59-31)61-42-35(51)33-29(48)21-26(45)22-30(33)58-41(42)25-18-19-27(46)28(47)20-25/h6-7,9-10,18-22,24,31,34,36-40,43-48,50,52-55H,3-5,8,11-17,23H2,1-2H3/b7-6-,10-9-
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM237193
PNG
(Rutin oleate)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C45H62O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33(50)61-41-25(2)58-44(40(56)38(41)54)57-24-32-35(51)37(53)39(55)45(60-32)62-43-36(52)34-30(49)22-27(46)23-31(34)59-42(43)26-19-20-28(47)29(48)21-26/h10-11,19-23,25,32,35,37-41,44-49,51,53-56H,3-9,12-18,24H2,1-2H3/b11-10-
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM237192
PNG
(Rutin stearate)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C45H64O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33(50)61-41-25(2)58-44(40(56)38(41)54)57-24-32-35(51)37(53)39(55)45(60-32)62-43-36(52)34-30(49)22-27(46)23-31(34)59-42(43)26-19-20-28(47)29(48)21-26/h19-23,25,32,35,37-41,44-49,51,53-56H,3-18,24H2,1-2H3
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM237191
PNG
(Rutin palmitate)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C43H60O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-31(48)59-39-23(2)56-42(38(54)36(39)52)55-22-30-33(49)35(51)37(53)43(58-30)60-41-34(50)32-28(47)20-25(44)21-29(32)57-40(41)24-17-18-26(45)27(46)19-24/h17-21,23,30,33,35-39,42-47,49,51-54H,3-16,22H2,1-2H3
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM237190
PNG
(Rutin myristate)
Show SMILES CCCCCCCCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C41H56O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-29(46)57-37-21(2)54-40(36(52)34(37)50)53-20-28-31(47)33(49)35(51)41(56-28)58-39-32(48)30-26(45)18-23(42)19-27(30)55-38(39)22-15-16-24(43)25(44)17-22/h15-19,21,28,31,33-37,40-45,47,49-52H,3-14,20H2,1-2H3
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM237189
PNG
(Rutin laurate)
Show SMILES CCCCCCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C39H52O17/c1-3-4-5-6-7-8-9-10-11-12-27(44)55-35-19(2)52-38(34(50)32(35)48)51-18-26-29(45)31(47)33(49)39(54-26)56-37-30(46)28-24(43)16-21(40)17-25(28)53-36(37)20-13-14-22(41)23(42)15-20/h13-17,19,26,29,31-35,38-43,45,47-50H,3-12,18H2,1-2H3
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM237186
PNG
(Rutin caproate | Rutin capronate)
Show SMILES CCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C33H40O17/c1-3-4-5-6-21(38)49-29-13(2)46-32(28(44)26(29)42)45-12-20-23(39)25(41)27(43)33(48-20)50-31-24(40)22-18(37)10-15(34)11-19(22)47-30(31)14-7-8-16(35)17(36)9-14/h7-11,13,20,23,25-29,32-37,39,41-44H,3-6,12H2,1-2H3
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM237187
PNG
(Rutin caprylate)
Show SMILES CCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C35H44O17/c1-3-4-5-6-7-8-23(40)51-31-15(2)48-34(30(46)28(31)44)47-14-22-25(41)27(43)29(45)35(50-22)52-33-26(42)24-20(39)12-17(36)13-21(24)49-32(33)16-9-10-18(37)19(38)11-16/h9-13,15,22,25,27-31,34-39,41,43-46H,3-8,14H2,1-2H3
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM237186
PNG
(Rutin caproate | Rutin capronate)
Show SMILES CCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C33H40O17/c1-3-4-5-6-21(38)49-29-13(2)46-32(28(44)26(29)42)45-12-20-23(39)25(41)27(43)33(48-20)50-31-24(40)22-18(37)10-15(34)11-19(22)47-30(31)14-7-8-16(35)17(36)9-14/h7-11,13,20,23,25-29,32-37,39,41-44H,3-6,12H2,1-2H3
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM237185
PNG
(Rutin butyrate)
Show SMILES CCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C31H36O17/c1-3-4-19(36)47-27-11(2)44-30(26(42)24(27)40)43-10-18-21(37)23(39)25(41)31(46-18)48-29-22(38)20-16(35)8-13(32)9-17(20)45-28(29)12-5-6-14(33)15(34)7-12/h5-9,11,18,21,23-27,30-35,37,39-42H,3-4,10H2,1-2H3
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Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))		BDBM237200
PNG
(Phloridzin myristate)
Show SMILES CCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)C(O)C(O)C1O
Show InChI InChI=1S/C35H50O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-30(40)44-22-29-32(41)33(42)34(43)35(46-29)45-28-21-25(37)20-27(39)31(28)26(38)19-16-23-14-17-24(36)18-15-23/h14-15,17-18,20-21,29,32-37,39,41-43H,2-13,16,19,22H2,1H3
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n/an/a>5.00E+5n/an/an/an/a8.0n/a



Slovak University of Technology



Assay Description
The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...

J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair