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Articleid 50029061

Compile data set for download or QSAR
Found 30 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
Neutrophil elastase


(Homo sapiens (Human))		BDBM50199883
PNG
(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Show SMILES Clc1oc(=O)c2ccccc2c1Cl
Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of human leukocyte elastase(HLE)

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Rattus norvegicus)		BDBM50281090
PNG
((3S,4R)-1-Acetyl-3-methoxy-4-phenyl-azetidin-2-one...)
Show SMILES CO[C@H]1[C@H](N(C(C)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C12H13NO3/c1-8(14)13-10(11(16-2)12(13)15)9-6-4-3-5-7-9/h3-7,10-11H,1-2H3/t10-,11+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of rat leukocyte elastase(RLE)

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Rattus norvegicus)		BDBM50281089
PNG
((3S,4R)-1-Acetyl-3-methoxy-4-((E)-1-methyl-2-pheny...)
Show SMILES CO[C@H]1[C@H](N(C(C)=O)C1=O)C(\C)=C\c1ccccc1
Show InChI InChI=1S/C15H17NO3/c1-10(9-12-7-5-4-6-8-12)13-14(19-3)15(18)16(13)11(2)17/h4-9,13-14H,1-3H3/b10-9+/t13-,14+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of rat leukocyte elastase(RLE)

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)		BDBM50281090
PNG
((3S,4R)-1-Acetyl-3-methoxy-4-phenyl-azetidin-2-one...)
Show SMILES CO[C@H]1[C@H](N(C(C)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C12H13NO3/c1-8(14)13-10(11(16-2)12(13)15)9-6-4-3-5-7-9/h3-7,10-11H,1-2H3/t10-,11+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of pancreatitic porcine elastase(PPE)

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Rattus norvegicus)		BDBM50199883
PNG
(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Show SMILES Clc1oc(=O)c2ccccc2c1Cl
Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H
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TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of rat leukocyte elastase(RLE)

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)		BDBM50199883
PNG
(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Show SMILES Clc1oc(=O)c2ccccc2c1Cl
Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H
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TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of pancreatitic porcine elastase(PPE)

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)		BDBM50281089
PNG
((3S,4R)-1-Acetyl-3-methoxy-4-((E)-1-methyl-2-pheny...)
Show SMILES CO[C@H]1[C@H](N(C(C)=O)C1=O)C(\C)=C\c1ccccc1
Show InChI InChI=1S/C15H17NO3/c1-10(9-12-7-5-4-6-8-12)13-14(19-3)15(18)16(13)11(2)17/h4-9,13-14H,1-3H3/b10-9+/t13-,14+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of pancreatitic porcine elastase(PPE)

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281089
PNG
((3S,4R)-1-Acetyl-3-methoxy-4-((E)-1-methyl-2-pheny...)
Show SMILES CO[C@H]1[C@H](N(C(C)=O)C1=O)C(\C)=C\c1ccccc1
Show InChI InChI=1S/C15H17NO3/c1-10(9-12-7-5-4-6-8-12)13-14(19-3)15(18)16(13)11(2)17/h4-9,13-14H,1-3H3/b10-9+/t13-,14+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of human leukocyte elastase(HLE)

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281090
PNG
((3S,4R)-1-Acetyl-3-methoxy-4-phenyl-azetidin-2-one...)
Show SMILES CO[C@H]1[C@H](N(C(C)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C12H13NO3/c1-8(14)13-10(11(16-2)12(13)15)9-6-4-3-5-7-9/h3-7,10-11H,1-2H3/t10-,11+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of human leukocyte elastase(HLE)

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281093
PNG
((3S,4S)-3-Butyl-1-[(R)-[1,3]dithian-2-yl-(2,2,2',2...)
Show SMILES CCCC[C@H]1[C@H](N([C@H](C2OC(C)(C)OC2C2COC(C)(C)O2)C2SCCCS2)C1=O)C(\C)=C\c1ccccc1
Show InChI InChI=1S/C31H45NO5S2/c1-7-8-15-22-24(20(2)18-21-13-10-9-11-14-21)32(28(22)33)25(29-38-16-12-17-39-29)27-26(36-31(5,6)37-27)23-19-34-30(3,4)35-23/h9-11,13-14,18,22-27,29H,7-8,12,15-17,19H2,1-6H3/b20-18+/t22-,23?,24+,25+,26?,27?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of human leukocyte elastase(HLE)

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Rattus norvegicus)		BDBM50281092
PNG
((3S,4S)-1,4-Diacetyl-3-methoxy-azetidin-2-one | CH...)
Show SMILES CO[C@H]1[C@H](N(C(C)=O)C1=O)C(C)=O
Show InChI InChI=1S/C8H11NO4/c1-4(10)6-7(13-3)8(12)9(6)5(2)11/h6-7H,1-3H3/t6-,7+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of rat leukocyte elastase(RLE)

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281094
PNG
((3R,4R)-3-Butyl-1-[(R)-[1,3]dithian-2-yl-(2,2,2',2...)
Show SMILES CCCC[C@@H]1[C@@H](N([C@H](C2OC(C)(C)OC2C2COC(C)(C)O2)C2SCCCS2)C1=O)C(\C)=C\c1ccccc1
Show InChI InChI=1S/C31H45NO5S2/c1-7-8-15-22-24(20(2)18-21-13-10-9-11-14-21)32(28(22)33)25(29-38-16-12-17-39-29)27-26(36-31(5,6)37-27)23-19-34-30(3,4)35-23/h9-11,13-14,18,22-27,29H,7-8,12,15-17,19H2,1-6H3/b20-18+/t22-,23?,24+,25-,26?,27?/m1/s1
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TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of human leukocyte elastase(HLE)

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281088
PNG
((3S,4R)-1-[(R)-[1,3]Dithian-2-yl-(2,2,2',2'-tetram...)
Show SMILES CO[C@H]1[C@H](N([C@H](C2OC(C)(C)OC2C2COC(C)(C)O2)C2SCCCS2)C1=O)C(\C)=C\c1ccccc1
Show InChI InChI=1S/C28H39NO6S2/c1-17(15-18-11-8-7-9-12-18)20-24(31-6)25(30)29(20)21(26-36-13-10-14-37-26)23-22(34-28(4,5)35-23)19-16-32-27(2,3)33-19/h7-9,11-12,15,19-24,26H,10,13-14,16H2,1-6H3/b17-15+/t19?,20-,21-,22?,23?,24+/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of human leukocyte elastase(HLE)

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)		BDBM50281092
PNG
((3S,4S)-1,4-Diacetyl-3-methoxy-azetidin-2-one | CH...)
Show SMILES CO[C@H]1[C@H](N(C(C)=O)C1=O)C(C)=O
Show InChI InChI=1S/C8H11NO4/c1-4(10)6-7(13-3)8(12)9(6)5(2)11/h6-7H,1-3H3/t6-,7+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of pancreatitic porcine elastase(PPE)

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Rattus norvegicus)		BDBM50281086
PNG
((3S,4S)-1,4-Diacetyl-3-butyl-azetidin-2-one | CHEM...)
Show SMILES CCCC[C@H]1[C@H](N(C(C)=O)C1=O)C(C)=O
Show InChI InChI=1S/C11H17NO3/c1-4-5-6-9-10(7(2)13)12(8(3)14)11(9)15/h9-10H,4-6H2,1-3H3/t9-,10+/m0/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of rat leukocyte elastase(RLE)

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281091
PNG
((3S,4S)-1-Acetyl-3-butyl-4-((E)-1-methyl-2-phenyl-...)
Show SMILES CCCC[C@H]1[C@H](N(C(C)=O)C1=O)C(\C)=C\c1ccccc1
Show InChI InChI=1S/C18H23NO2/c1-4-5-11-16-17(19(14(3)20)18(16)21)13(2)12-15-9-7-6-8-10-15/h6-10,12,16-17H,4-5,11H2,1-3H3/b13-12+/t16-,17+/m0/s1
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n/an/a 4.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of human leukocyte elastase(HLE)

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281086
PNG
((3S,4S)-1,4-Diacetyl-3-butyl-azetidin-2-one | CHEM...)
Show SMILES CCCC[C@H]1[C@H](N(C(C)=O)C1=O)C(C)=O
Show InChI InChI=1S/C11H17NO3/c1-4-5-6-9-10(7(2)13)12(8(3)14)11(9)15/h9-10H,4-6H2,1-3H3/t9-,10+/m0/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of human leukocyte elastase(HLE)

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)		BDBM50281091
PNG
((3S,4S)-1-Acetyl-3-butyl-4-((E)-1-methyl-2-phenyl-...)
Show SMILES CCCC[C@H]1[C@H](N(C(C)=O)C1=O)C(\C)=C\c1ccccc1
Show InChI InChI=1S/C18H23NO2/c1-4-5-11-16-17(19(14(3)20)18(16)21)13(2)12-15-9-7-6-8-10-15/h6-10,12,16-17H,4-5,11H2,1-3H3/b13-12+/t16-,17+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of pancreatitic porcine elastase(PPE)

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281087
PNG
((3R,4S)-1-[(R)-[1,3]Dithian-2-yl-(2,2,2',2'-tetram...)
Show SMILES CO[C@@H]1[C@H](\C=C\c2ccccc2)N([C@H](C2OC(C)(C)OC2C2COC(C)(C)O2)C2SCCCS2)C1=O
Show InChI InChI=1S/C27H37NO6S2/c1-26(2)31-16-19(32-26)22-23(34-27(3,4)33-22)20(25-35-14-9-15-36-25)28-18(21(30-5)24(28)29)13-12-17-10-7-6-8-11-17/h6-8,10-13,18-23,25H,9,14-16H2,1-5H3/b13-12+/t18-,19?,20+,21+,22?,23?/m0/s1
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n/an/a 7.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of human leukocyte elastase(HLE)

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281092
PNG
((3S,4S)-1,4-Diacetyl-3-methoxy-azetidin-2-one | CH...)
Show SMILES CO[C@H]1[C@H](N(C(C)=O)C1=O)C(C)=O
Show InChI InChI=1S/C8H11NO4/c1-4(10)6-7(13-3)8(12)9(6)5(2)11/h6-7H,1-3H3/t6-,7+/m1/s1
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n/an/a 9.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of human leukocyte elastase(HLE)

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Rattus norvegicus)		BDBM50281091
PNG
((3S,4S)-1-Acetyl-3-butyl-4-((E)-1-methyl-2-phenyl-...)
Show SMILES CCCC[C@H]1[C@H](N(C(C)=O)C1=O)C(\C)=C\c1ccccc1
Show InChI InChI=1S/C18H23NO2/c1-4-5-11-16-17(19(14(3)20)18(16)21)13(2)12-15-9-7-6-8-10-15/h6-10,12,16-17H,4-5,11H2,1-3H3/b13-12+/t16-,17+/m0/s1
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n/an/a>1.60E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of rat leukocyte elastase(RLE)

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)		BDBM50281086
PNG
((3S,4S)-1,4-Diacetyl-3-butyl-azetidin-2-one | CHEM...)
Show SMILES CCCC[C@H]1[C@H](N(C(C)=O)C1=O)C(C)=O
Show InChI InChI=1S/C11H17NO3/c1-4-5-6-9-10(7(2)13)12(8(3)14)11(9)15/h9-10H,4-6H2,1-3H3/t9-,10+/m0/s1
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n/an/a>1.60E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of pancreatitic porcine elastase(PPE)

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Rattus norvegicus)		BDBM50281087
PNG
((3R,4S)-1-[(R)-[1,3]Dithian-2-yl-(2,2,2',2'-tetram...)
Show SMILES CO[C@@H]1[C@H](\C=C\c2ccccc2)N([C@H](C2OC(C)(C)OC2C2COC(C)(C)O2)C2SCCCS2)C1=O
Show InChI InChI=1S/C27H37NO6S2/c1-26(2)31-16-19(32-26)22-23(34-27(3,4)33-22)20(25-35-14-9-15-36-25)28-18(21(30-5)24(28)29)13-12-17-10-7-6-8-11-17/h6-8,10-13,18-23,25H,9,14-16H2,1-5H3/b13-12+/t18-,19?,20+,21+,22?,23?/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of rat leukocyte elastase(RLE); Not Active

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Rattus norvegicus)		BDBM50281094
PNG
((3R,4R)-3-Butyl-1-[(R)-[1,3]dithian-2-yl-(2,2,2',2...)
Show SMILES CCCC[C@@H]1[C@@H](N([C@H](C2OC(C)(C)OC2C2COC(C)(C)O2)C2SCCCS2)C1=O)C(\C)=C\c1ccccc1
Show InChI InChI=1S/C31H45NO5S2/c1-7-8-15-22-24(20(2)18-21-13-10-9-11-14-21)32(28(22)33)25(29-38-16-12-17-39-29)27-26(36-31(5,6)37-27)23-19-34-30(3,4)35-23/h9-11,13-14,18,22-27,29H,7-8,12,15-17,19H2,1-6H3/b20-18+/t22-,23?,24+,25-,26?,27?/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of rat leukocyte elastase(RLE); Not Active

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Rattus norvegicus)		BDBM50281088
PNG
((3S,4R)-1-[(R)-[1,3]Dithian-2-yl-(2,2,2',2'-tetram...)
Show SMILES CO[C@H]1[C@H](N([C@H](C2OC(C)(C)OC2C2COC(C)(C)O2)C2SCCCS2)C1=O)C(\C)=C\c1ccccc1
Show InChI InChI=1S/C28H39NO6S2/c1-17(15-18-11-8-7-9-12-18)20-24(31-6)25(30)29(20)21(26-36-13-10-14-37-26)23-22(34-28(4,5)35-23)19-16-32-27(2,3)33-19/h7-9,11-12,15,19-24,26H,10,13-14,16H2,1-6H3/b17-15+/t19?,20-,21-,22?,23?,24+/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of rat leukocyte elastase(RLE); Not Active

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)		BDBM50281093
PNG
((3S,4S)-3-Butyl-1-[(R)-[1,3]dithian-2-yl-(2,2,2',2...)
Show SMILES CCCC[C@H]1[C@H](N([C@H](C2OC(C)(C)OC2C2COC(C)(C)O2)C2SCCCS2)C1=O)C(\C)=C\c1ccccc1
Show InChI InChI=1S/C31H45NO5S2/c1-7-8-15-22-24(20(2)18-21-13-10-9-11-14-21)32(28(22)33)25(29-38-16-12-17-39-29)27-26(36-31(5,6)37-27)23-19-34-30(3,4)35-23/h9-11,13-14,18,22-27,29H,7-8,12,15-17,19H2,1-6H3/b20-18+/t22-,23?,24+,25+,26?,27?/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of pancreatitic porcine elastase(PPE); Not Active

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)		BDBM50281087
PNG
((3R,4S)-1-[(R)-[1,3]Dithian-2-yl-(2,2,2',2'-tetram...)
Show SMILES CO[C@@H]1[C@H](\C=C\c2ccccc2)N([C@H](C2OC(C)(C)OC2C2COC(C)(C)O2)C2SCCCS2)C1=O
Show InChI InChI=1S/C27H37NO6S2/c1-26(2)31-16-19(32-26)22-23(34-27(3,4)33-22)20(25-35-14-9-15-36-25)28-18(21(30-5)24(28)29)13-12-17-10-7-6-8-11-17/h6-8,10-13,18-23,25H,9,14-16H2,1-5H3/b13-12+/t18-,19?,20+,21+,22?,23?/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of pancreatitic porcine elastase(PPE); Not Active

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)		BDBM50281094
PNG
((3R,4R)-3-Butyl-1-[(R)-[1,3]dithian-2-yl-(2,2,2',2...)
Show SMILES CCCC[C@@H]1[C@@H](N([C@H](C2OC(C)(C)OC2C2COC(C)(C)O2)C2SCCCS2)C1=O)C(\C)=C\c1ccccc1
Show InChI InChI=1S/C31H45NO5S2/c1-7-8-15-22-24(20(2)18-21-13-10-9-11-14-21)32(28(22)33)25(29-38-16-12-17-39-29)27-26(36-31(5,6)37-27)23-19-34-30(3,4)35-23/h9-11,13-14,18,22-27,29H,7-8,12,15-17,19H2,1-6H3/b20-18+/t22-,23?,24+,25-,26?,27?/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of pancreatitic porcine elastase(PPE); Not Active

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Rattus norvegicus)		BDBM50281093
PNG
((3S,4S)-3-Butyl-1-[(R)-[1,3]dithian-2-yl-(2,2,2',2...)
Show SMILES CCCC[C@H]1[C@H](N([C@H](C2OC(C)(C)OC2C2COC(C)(C)O2)C2SCCCS2)C1=O)C(\C)=C\c1ccccc1
Show InChI InChI=1S/C31H45NO5S2/c1-7-8-15-22-24(20(2)18-21-13-10-9-11-14-21)32(28(22)33)25(29-38-16-12-17-39-29)27-26(36-31(5,6)37-27)23-19-34-30(3,4)35-23/h9-11,13-14,18,22-27,29H,7-8,12,15-17,19H2,1-6H3/b20-18+/t22-,23?,24+,25+,26?,27?/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of rat leukocyte elastase(RLE); Not Active

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)		BDBM50281088
PNG
((3S,4R)-1-[(R)-[1,3]Dithian-2-yl-(2,2,2',2'-tetram...)
Show SMILES CO[C@H]1[C@H](N([C@H](C2OC(C)(C)OC2C2COC(C)(C)O2)C2SCCCS2)C1=O)C(\C)=C\c1ccccc1
Show InChI InChI=1S/C28H39NO6S2/c1-17(15-18-11-8-7-9-12-18)20-24(31-6)25(30)29(20)21(26-36-13-10-14-37-26)23-22(34-28(4,5)35-23)19-16-32-27(2,3)33-19/h7-9,11-12,15,19-24,26H,10,13-14,16H2,1-6H3/b17-15+/t19?,20-,21-,22?,23?,24+/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of pancreatitic porcine elastase(PPE); Not Active

Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%