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Patent code US9340507

Compile Data Set for Download or QSAR
Found 111 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
Leukocyte elastase


(Homo sapiens (Human))
BDBM230371
PNG
(US9340507, 29.2)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc3c(CCS3(=O)=O)c2)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C26H26F2N2O4S/c1-15(2)30-14-21(24(31)23(16(30)3)19-5-4-6-20(12-19)25(27)28)26(32)29-13-17-7-8-22-18(11-17)9-10-35(22,33)34/h4-8,11-12,14-15,25H,9-10,13H2,1-3H3,(H,29,32)
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230370
PNG
(US9340507, 29.1)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc3c(CCS3(=O)=O)c2)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H25F3N2O4S/c1-15(2)31-14-21(24(32)23(16(31)3)19-5-4-6-20(12-19)26(27,28)29)25(33)30-13-17-7-8-22-18(11-17)9-10-36(22,34)35/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,30,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230358
PNG
(US9340507, 23.2)
Show SMILES CCC(CC)n1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)c(-c2cccc(c2)C(F)F)c1C
Show InChI InChI=1S/C26H29F2N3O4S/c1-5-20(6-2)31-15-22(26(33)30-13-19-10-11-21(14-29-19)36(4,34)35)24(32)23(16(31)3)17-8-7-9-18(12-17)25(27)28/h7-12,14-15,20,25H,5-6,13H2,1-4H3,(H,30,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230375
PNG
(US9340507, 31)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(=O)(=O)C2CC2)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H27F3N2O4S/c1-16(2)32-15-23(25(33)24(17(32)3)19-5-4-6-20(13-19)27(28,29)30)26(34)31-14-18-7-9-21(10-8-18)37(35,36)22-11-12-22/h4-10,13,15-16,22H,11-12,14H2,1-3H3,(H,31,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230382
PNG
(US9340507, 38)
Show SMILES CC(C)n1cc(C(=O)NCc2cn3CCS(=O)(=O)c3n2)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O4S/c1-13(2)30-12-18(21(32)27-10-17-11-29-7-8-35(33,34)22(29)28-17)20(31)19(14(30)3)15-5-4-6-16(9-15)23(24,25)26/h4-6,9,11-13H,7-8,10H2,1-3H3,(H,27,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230365
PNG
(US9340507, 27.1 | US9340507, 27.1A | US9340507, 27...)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O3S/c1-15(2)30-14-21(24(32)29-13-17-8-10-20(11-9-17)34(4)33)23(31)22(16(30)3)18-6-5-7-19(12-18)25(26,27)28/h5-12,14-15H,13H2,1-4H3,(H,29,32)
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n/an/a 5.40n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230368
PNG
(US9340507, 28.2)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(c(C)c2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C26H28F2N2O4S/c1-15(2)30-14-21(24(31)23(17(30)4)19-7-6-8-20(12-19)25(27)28)26(32)29-13-18-9-10-22(16(3)11-18)35(5,33)34/h6-12,14-15,25H,13H2,1-5H3,(H,29,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230367
PNG
(US9340507, 28.1)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(c(C)c2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H27F3N2O4S/c1-15(2)31-14-21(25(33)30-13-18-9-10-22(16(3)11-18)36(5,34)35)24(32)23(17(31)4)19-7-6-8-20(12-19)26(27,28)29/h6-12,14-15H,13H2,1-5H3,(H,30,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230394
PNG
(US9340507, 50)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc3c(C=CS3(=O)=O)c2)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C26H24F2N2O4S/c1-15(2)30-14-21(24(31)23(16(30)3)19-5-4-6-20(12-19)25(27)28)26(32)29-13-17-7-8-22-18(11-17)9-10-35(22,33)34/h4-12,14-15,25H,13H2,1-3H3,(H,29,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230341
PNG
(US9340507, 15.2)
Show SMILES CCC(CC)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C27H30F2N2O4S/c1-5-21(6-2)31-16-23(27(33)30-15-18-10-12-22(13-11-18)36(4,34)35)25(32)24(17(31)3)19-8-7-9-20(14-19)26(28)29/h7-14,16,21,26H,5-6,15H2,1-4H3,(H,30,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230332
PNG
(US9340507, 11.1)
Show SMILES CC[C@@H](C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C26H28F2N2O4S/c1-5-16(2)30-15-22(26(32)29-14-18-9-11-21(12-10-18)35(4,33)34)24(31)23(17(30)3)19-7-6-8-20(13-19)25(27)28/h6-13,15-16,25H,5,14H2,1-4H3,(H,29,32)/t16-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230340
PNG
(US9340507, 15.1)
Show SMILES CCC(CC)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H29F3N2O4S/c1-5-21(6-2)32-16-23(26(34)31-15-18-10-12-22(13-11-18)37(4,35)36)25(33)24(17(32)3)19-8-7-9-20(14-19)27(28,29)30/h7-14,16,21H,5-6,15H2,1-4H3,(H,31,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230386
PNG
(US9340507, 42)
Show SMILES COC[C@H](C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C26H28F2N2O5S/c1-16(15-35-3)30-14-22(26(32)29-13-18-8-10-21(11-9-18)36(4,33)34)24(31)23(17(30)2)19-6-5-7-20(12-19)25(27)28/h5-12,14,16,25H,13,15H2,1-4H3,(H,29,32)/t16-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230365
PNG
(US9340507, 27.1 | US9340507, 27.1A | US9340507, 27...)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O3S/c1-15(2)30-14-21(24(32)29-13-17-8-10-20(11-9-17)34(4)33)23(31)22(16(30)3)18-6-5-7-19(12-18)25(26,27)28/h5-12,14-15H,13H2,1-4H3,(H,29,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230385
PNG
(US9340507, 41)
Show SMILES COC[C@H](C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H27F3N2O5S/c1-16(15-36-3)31-14-22(25(33)30-13-18-8-10-21(11-9-18)37(4,34)35)24(32)23(17(31)2)19-6-5-7-20(12-19)26(27,28)29/h5-12,14,16H,13,15H2,1-4H3,(H,30,33)/t16-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230334
PNG
(US9340507, 12.1)
Show SMILES CC[C@H](C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H27F3N2O4S/c1-5-16(2)31-15-22(25(33)30-14-18-9-11-21(12-10-18)36(4,34)35)24(32)23(17(31)3)19-7-6-8-20(13-19)26(27,28)29/h6-13,15-16H,5,14H2,1-4H3,(H,30,33)/t16-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230350
PNG
(US9340507, 19.2)
Show SMILES CC[C@@H](C)n1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)c(-c2cccc(c2)C(F)F)c1C
Show InChI InChI=1S/C25H27F2N3O4S/c1-5-15(2)30-14-21(25(32)29-12-19-9-10-20(13-28-19)35(4,33)34)23(31)22(16(30)3)17-7-6-8-18(11-17)24(26)27/h6-11,13-15,24H,5,12H2,1-4H3,(H,29,32)/t15-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230349
PNG
(US9340507, 19.1)
Show SMILES CC[C@@H](C)n1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)c(-c2cccc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C25H26F3N3O4S/c1-5-15(2)31-14-21(24(33)30-12-19-9-10-20(13-29-19)36(4,34)35)23(32)22(16(31)3)17-7-6-8-18(11-17)25(26,27)28/h6-11,13-15H,5,12H2,1-4H3,(H,30,33)/t15-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230313
PNG
(US9340507, 4.8)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C25H26F2N2O3S/c1-15(2)29-14-21(25(31)28-13-17-8-10-20(11-9-17)33(4)32)23(30)22(16(29)3)18-6-5-7-19(12-18)24(26)27/h5-12,14-15,24H,13H2,1-4H3,(H,28,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230374
PNG
(US9340507, 30.2)
Show SMILES CCc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1C(C)C)C(=O)NCc1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C27H29F3N2O4S/c1-5-23-24(19-8-7-9-20(14-19)27(28,29)30)25(33)22(16-32(23)17(3)4)26(34)31-15-18-10-12-21(13-11-18)37(35,36)6-2/h7-14,16-17H,5-6,15H2,1-4H3,(H,31,34)
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Boehringer Ingelheim International GmbH

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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230392
PNG
(US9340507, 48)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc3c(C=CS3(=O)=O)c2)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H23F3N2O4S/c1-15(2)31-14-21(24(32)23(16(31)3)19-5-4-6-20(12-19)26(27,28)29)25(33)30-13-17-7-8-22-18(11-17)9-10-36(22,34)35/h4-12,14-15H,13H2,1-3H3,(H,30,33)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230353
PNG
(US9340507, 20.2)
Show SMILES CC[C@H](C)n1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)c(-c2cccc(c2)C(F)F)c1C
Show InChI InChI=1S/C25H27F2N3O4S/c1-5-15(2)30-14-21(25(32)29-12-19-9-10-20(13-28-19)35(4,33)34)23(31)22(16(30)3)17-7-6-8-18(11-17)24(26)27/h6-11,13-15,24H,5,12H2,1-4H3,(H,29,32)/t15-/m0/s1
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230319
PNG
(US9340507, 4.14)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C25H26F2N2O4S/c1-15(2)29-14-21(25(31)28-13-17-8-10-20(11-9-17)34(4,32)33)23(30)22(16(29)3)18-6-5-7-19(12-18)24(26)27/h5-12,14-15,24H,13H2,1-4H3,(H,28,31)
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230287
PNG
(US9340507, 1.2)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O4S/c1-15(2)30-14-21(24(32)29-13-17-8-10-20(11-9-17)35(4,33)34)23(31)22(16(30)3)18-6-5-7-19(12-18)25(26,27)28/h5-12,14-15H,13H2,1-4H3,(H,29,32)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230357
PNG
(US9340507, 23.1)
Show SMILES CCC(CC)n1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)c(-c2cccc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C26H28F3N3O4S/c1-5-20(6-2)32-15-22(25(34)31-13-19-10-11-21(14-30-19)37(4,35)36)24(33)23(16(32)3)17-8-7-9-18(12-17)26(27,28)29/h7-12,14-15,20H,5-6,13H2,1-4H3,(H,31,34)
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230335
PNG
(US9340507, 12.2)
Show SMILES CC[C@H](C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C26H28F2N2O4S/c1-5-16(2)30-15-22(26(32)29-14-18-9-11-21(12-10-18)35(4,33)34)24(31)23(17(30)3)19-7-6-8-20(13-19)25(27)28/h6-13,15-16,25H,5,14H2,1-4H3,(H,29,32)/t16-/m0/s1
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230373
PNG
(US9340507, 30.1)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cn(C(C)C)c(C)c(-c3cccc(c3)C(F)(F)F)c2=O)cc1
Show InChI InChI=1S/C26H27F3N2O4S/c1-5-36(34,35)21-11-9-18(10-12-21)14-30-25(33)22-15-31(16(2)3)17(4)23(24(22)32)19-7-6-8-20(13-19)26(27,28)29/h6-13,15-16H,5,14H2,1-4H3,(H,30,33)
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230376
PNG
(US9340507, 32)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(c(F)c2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H24F4N2O4S/c1-14(2)31-13-19(24(33)30-12-16-8-9-21(20(26)10-16)36(4,34)35)23(32)22(15(31)3)17-6-5-7-18(11-17)25(27,28)29/h5-11,13-14H,12H2,1-4H3,(H,30,33)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230372
PNG
(US9340507, 29.3)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc3c(CCS3(=O)=O)c2)c(=O)c(c1C)-c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C25H24F3N3O4S/c1-14(2)31-13-19(23(32)22(15(31)3)18-6-8-29-21(11-18)25(26,27)28)24(33)30-12-16-4-5-20-17(10-16)7-9-36(20,34)35/h4-6,8,10-11,13-14H,7,9,12H2,1-3H3,(H,30,33)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230345
PNG
(US9340507, 17.2)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)c(-c2cccc(c2)C(F)F)c1C
Show InChI InChI=1S/C24H25F2N3O4S/c1-14(2)29-13-20(24(31)28-11-18-8-9-19(12-27-18)34(4,32)33)22(30)21(15(29)3)16-6-5-7-17(10-16)23(25)26/h5-10,12-14,23H,11H2,1-4H3,(H,28,31)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230352
PNG
(US9340507, 20.1)
Show SMILES CC[C@H](C)n1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)c(-c2cccc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C25H26F3N3O4S/c1-5-15(2)31-14-21(24(33)30-12-19-9-10-20(13-29-19)36(4,34)35)23(32)22(16(31)3)17-7-6-8-18(11-17)25(26,27)28/h6-11,13-15H,5,12H2,1-4H3,(H,30,33)/t15-/m0/s1
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230377
PNG
(US9340507, 33)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(c(F)c2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C25H25F3N2O4S/c1-14(2)30-13-19(23(31)22(15(30)3)17-6-5-7-18(11-17)24(27)28)25(32)29-12-16-8-9-21(20(26)10-16)35(4,33)34/h5-11,13-14,24H,12H2,1-4H3,(H,29,32)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230379
PNG
(US9340507, 35)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2F)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C25H25F3N2O4S/c1-14(2)30-13-20(23(31)22(15(30)3)16-6-5-7-17(10-16)24(27)28)25(32)29-12-18-8-9-19(11-21(18)26)35(4,33)34/h5-11,13-14,24H,12H2,1-4H3,(H,29,32)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230330
PNG
(US9340507, 9.2)
Show SMILES Cc1c(-c2cccc(c2)C(F)F)c(=O)c(cn1C1CCCC1)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C27H28F2N2O4S/c1-17-24(19-6-5-7-20(14-19)26(28)29)25(32)23(16-31(17)21-8-3-4-9-21)27(33)30-15-18-10-12-22(13-11-18)36(2,34)35/h5-7,10-14,16,21,26H,3-4,8-9,15H2,1-2H3,(H,30,33)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230328
PNG
(US9340507, 8.2)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1C1CCCC1)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C27H27F3N2O4S/c1-17-24(19-6-5-7-20(14-19)27(28,29)30)25(33)23(16-32(17)21-8-3-4-9-21)26(34)31-15-18-10-12-22(13-11-18)37(2,35)36/h5-7,10-14,16,21H,3-4,8-9,15H2,1-2H3,(H,31,34)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230316
PNG
(US9340507, 4.11)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C28H28F2N4O2/c1-18(2)34-16-24(26(35)25(19(34)3)22-5-4-6-23(13-22)27(29)30)28(36)32-14-20-7-9-21(10-8-20)15-33-12-11-31-17-33/h4-13,16-18,27H,14-15H2,1-3H3,(H,32,36)
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230321
PNG
(US9340507, 5.2)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H24F4N2O4S/c1-14(2)31-13-19(24(33)30-12-16-5-8-18(9-6-16)36(4,34)35)23(32)22(15(31)3)17-7-10-21(26)20(11-17)25(27,28)29/h5-11,13-14H,12H2,1-4H3,(H,30,33)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230380
PNG
(US9340507, 36)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2C)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H27F3N2O4S/c1-15(2)31-14-22(25(33)30-13-19-9-10-21(11-16(19)3)36(5,34)35)24(32)23(17(31)4)18-7-6-8-20(12-18)26(27,28)29/h6-12,14-15H,13H2,1-5H3,(H,30,33)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230338
PNG
(US9340507, 14.1)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1C1CCOC1)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C26H25F3N2O5S/c1-16-23(18-4-3-5-19(12-18)26(27,28)29)24(32)22(14-31(16)20-10-11-36-15-20)25(33)30-13-17-6-8-21(9-7-17)37(2,34)35/h3-9,12,14,20H,10-11,13,15H2,1-2H3,(H,30,33)
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230305
PNG
(US9340507, 3.9)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H30F3N3O3/c1-18(2)35-17-24(27(37)26(19(35)3)22-6-4-7-23(14-22)29(30,31)32)28(38)33-15-20-9-11-21(12-10-20)16-34-13-5-8-25(34)36/h4,6-7,9-12,14,17-18H,5,8,13,15-16H2,1-3H3,(H,33,38)
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230294
PNG
(US9340507, 2.2)
Show SMILES CCCn1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O4S/c1-4-10-30-14-20(23(32)29-12-18-8-9-19(13-28-18)35(3,33)34)22(31)21(15(30)2)16-6-5-7-17(11-16)24(25,26)27/h5-9,11,13-14H,4,10,12H2,1-3H3,(H,29,32)
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230318
PNG
(US9340507, 4.13)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C29H31F2N3O3/c1-18(2)34-17-24(27(36)26(19(34)3)22-6-4-7-23(14-22)28(30)31)29(37)32-15-20-9-11-21(12-10-20)16-33-13-5-8-25(33)35/h4,6-7,9-12,14,17-18,28H,5,8,13,15-16H2,1-3H3,(H,32,37)
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230364
PNG
(US9340507, 26)
Show SMILES CC[C@H](C)n1cc(C(=O)NCc2nnc(C)o2)c(=O)c(-c2cccc(c2)C(F)F)c1C
Show InChI InChI=1S/C22H24F2N4O3/c1-5-12(2)28-11-17(22(30)25-10-18-27-26-14(4)31-18)20(29)19(13(28)3)15-7-6-8-16(9-15)21(23)24/h6-9,11-12,21H,5,10H2,1-4H3,(H,25,30)/t12-/m0/s1
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230342
PNG
(US9340507, 15.3)
Show SMILES CCC(CC)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(-c2ccnc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C26H28F3N3O4S/c1-5-19(6-2)32-15-21(25(34)31-14-17-7-9-20(10-8-17)37(4,35)36)24(33)23(16(32)3)18-11-12-30-22(13-18)26(27,28)29/h7-13,15,19H,5-6,14H2,1-4H3,(H,31,34)
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230378
PNG
(US9340507, 34)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2F)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H24F4N2O4S/c1-14(2)31-13-20(24(33)30-12-17-8-9-19(11-21(17)26)36(4,34)35)23(32)22(15(31)3)16-6-5-7-18(10-16)25(27,28)29/h5-11,13-14H,12H2,1-4H3,(H,30,33)
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230308
PNG
(US9340507, 4.3)
Show SMILES CC(C)n1cc(C(=O)NCc2nnc(C)o2)c(=O)c(-c2cccc(c2)C(F)F)c1C
Show InChI InChI=1S/C21H22F2N4O3/c1-11(2)27-10-16(21(29)24-9-17-26-25-13(4)30-17)19(28)18(12(27)3)14-6-5-7-15(8-14)20(22)23/h5-8,10-11,20H,9H2,1-4H3,(H,24,29)
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230381
PNG
(US9340507, 37)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2C)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C26H28F2N2O4S/c1-15(2)30-14-22(24(31)23(17(30)4)18-7-6-8-19(12-18)25(27)28)26(32)29-13-20-9-10-21(11-16(20)3)35(5,33)34/h6-12,14-15,25H,13H2,1-5H3,(H,29,32)
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230339
PNG
(US9340507, 14.2)
Show SMILES Cc1c(-c2cccc(c2)C(F)F)c(=O)c(cn1C1CCOC1)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C26H26F2N2O5S/c1-16-23(18-4-3-5-19(12-18)25(27)28)24(31)22(14-30(16)20-10-11-35-15-20)26(32)29-13-17-6-8-21(9-7-17)36(2,33)34/h3-9,12,14,20,25H,10-11,13,15H2,1-2H3,(H,29,32)
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230369
PNG
(US9340507, 28.3)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(c(C)c2)S(C)(=O)=O)c(=O)c(-c2ccnc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C25H26F3N3O4S/c1-14(2)31-13-19(24(33)30-12-17-6-7-20(15(3)10-17)36(5,34)35)23(32)22(16(31)4)18-8-9-29-21(11-18)25(26,27)28/h6-11,13-14H,12H2,1-5H3,(H,30,33)
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230326
PNG
(US9340507, 7)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1C1CCC1)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C26H25F3N2O4S/c1-16-23(18-5-3-6-19(13-18)26(27,28)29)24(32)22(15-31(16)20-7-4-8-20)25(33)30-14-17-9-11-21(12-10-17)36(2,34)35/h3,5-6,9-13,15,20H,4,7-8,14H2,1-2H3,(H,30,33)
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230356
PNG
(US9340507, 22)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1C1CCOC1)C(=O)NCc1ccc(cn1)S(C)(=O)=O
Show InChI InChI=1S/C25H24F3N3O5S/c1-15-22(16-4-3-5-17(10-16)25(26,27)28)23(32)21(13-31(15)19-8-9-36-14-19)24(33)30-11-18-6-7-20(12-29-18)37(2,34)35/h3-7,10,12-13,19H,8-9,11,14H2,1-2H3,(H,30,33)
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230329
PNG
(US9340507, 9.1)
Show SMILES Cc1nnc(CNC(=O)c2cn(C3CCCC3)c(C)c(-c3cccc(c3)C(F)F)c2=O)o1
Show InChI InChI=1S/C23H24F2N4O3/c1-13-20(15-6-5-7-16(10-15)22(24)25)21(30)18(12-29(13)17-8-3-4-9-17)23(31)26-11-19-28-27-14(2)32-19/h5-7,10,12,17,22H,3-4,8-9,11H2,1-2H3,(H,26,31)
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230311
PNG
(US9340507, 4.6)
Show SMILES CC(C)n1cc(C(=O)NCc2cn3ccccc3n2)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C25H24F2N4O2/c1-15(2)31-14-20(25(33)28-12-19-13-30-10-5-4-9-21(30)29-19)23(32)22(16(31)3)17-7-6-8-18(11-17)24(26)27/h4-11,13-15,24H,12H2,1-3H3,(H,28,33)
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230383
PNG
(US9340507, 39)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(s2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N2O4S2/c1-13(2)28-12-18(22(30)27-11-17-8-9-19(33-17)34(4,31)32)21(29)20(14(28)3)15-6-5-7-16(10-15)23(24,25)26/h5-10,12-13H,11H2,1-4H3,(H,27,30)
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230288
PNG
(US9340507, 1.3)
Show SMILES CCCn1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O4S/c1-4-12-30-15-21(24(32)29-14-17-8-10-20(11-9-17)35(3,33)34)23(31)22(16(30)2)18-6-5-7-19(13-18)25(26,27)28/h5-11,13,15H,4,12,14H2,1-3H3,(H,29,32)
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230331
PNG
(US9340507, 10)
Show SMILES CCn1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C24H24F2N2O4S/c1-4-28-14-20(24(30)27-13-16-8-10-19(11-9-16)33(3,31)32)22(29)21(15(28)2)17-6-5-7-18(12-17)23(25)26/h5-12,14,23H,4,13H2,1-3H3,(H,27,30)
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230325
PNG
(US9340507, 6)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1C1CC1)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C25H23F3N2O4S/c1-15-22(17-4-3-5-18(12-17)25(26,27)28)23(31)21(14-30(15)19-8-9-19)24(32)29-13-16-6-10-20(11-7-16)35(2,33)34/h3-7,10-12,14,19H,8-9,13H2,1-2H3,(H,29,32)
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230290
PNG
(US9340507, 1.5)
Show SMILES CC(C)Cn1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H27F3N2O4S/c1-16(2)14-31-15-22(25(33)30-13-18-8-10-21(11-9-18)36(4,34)35)24(32)23(17(31)3)19-6-5-7-20(12-19)26(27,28)29/h5-12,15-16H,13-14H2,1-4H3,(H,30,33)
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230295
PNG
(US9340507, 2.3)
Show SMILES CC(C)Cn1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)c(-c2cccc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C25H26F3N3O4S/c1-15(2)13-31-14-21(24(33)30-11-19-8-9-20(12-29-19)36(4,34)35)23(32)22(16(31)3)17-6-5-7-18(10-17)25(26,27)28/h5-10,12,14-15H,11,13H2,1-4H3,(H,30,33)
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Boehringer Ingelheim International GmbH

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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230363
PNG
(US9340507, 25.2)
Show SMILES CC[C@@H](C)n1cc(C(=O)NCc2nnc(C)o2)c(=O)c(-c2cccc(c2)C(F)F)c1C
Show InChI InChI=1S/C22H24F2N4O3/c1-5-12(2)28-11-17(22(30)25-10-18-27-26-14(4)31-18)20(29)19(13(28)3)15-7-6-8-16(9-15)21(23)24/h6-9,11-12,21H,5,10H2,1-4H3,(H,25,30)/t12-/m1/s1
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230365
PNG
(US9340507, 27.1 | US9340507, 27.1A | US9340507, 27...)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O3S/c1-15(2)30-14-21(24(32)29-13-17-8-10-20(11-9-17)34(4)33)23(31)22(16(30)3)18-6-5-7-19(12-18)25(26,27)28/h5-12,14-15H,13H2,1-4H3,(H,29,32)
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230384
PNG
(US9340507, 40)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(s2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C23H24F2N2O4S2/c1-13(2)27-12-18(23(29)26-11-17-8-9-19(32-17)33(4,30)31)21(28)20(14(27)3)15-6-5-7-16(10-15)22(24)25/h5-10,12-13,22H,11H2,1-4H3,(H,26,29)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230387
PNG
(US9340507, 43)
Show SMILES COC[C@@H](C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H27F3N2O5S/c1-16(15-36-3)31-14-22(25(33)30-13-18-8-10-21(11-9-18)37(4,34)35)24(32)23(17(31)2)19-6-5-7-20(12-19)26(27,28)29/h5-12,14,16H,13,15H2,1-4H3,(H,30,33)/t16-/m1/s1
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230347
PNG
(US9340507, 18.1)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1C1CCC1)C(=O)NCc1ccc(cn1)S(C)(=O)=O
Show InChI InChI=1S/C25H24F3N3O4S/c1-15-22(16-5-3-6-17(11-16)25(26,27)28)23(32)21(14-31(15)19-7-4-8-19)24(33)30-12-18-9-10-20(13-29-18)36(2,34)35/h3,5-6,9-11,13-14,19H,4,7-8,12H2,1-2H3,(H,30,33)
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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230286
PNG
(US9340507, 1.1)
Show SMILES CCn1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O4S/c1-4-29-14-20(23(31)28-13-16-8-10-19(11-9-16)34(3,32)33)22(30)21(15(29)2)17-6-5-7-18(12-17)24(25,26)27/h5-12,14H,4,13H2,1-3H3,(H,28,31)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230389
PNG
(US9340507, 45)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1CCF)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H22F4N2O4S/c1-15-21(17-4-3-5-18(12-17)24(26,27)28)22(31)20(14-30(15)11-10-25)23(32)29-13-16-6-8-19(9-7-16)35(2,33)34/h3-9,12,14H,10-11,13H2,1-2H3,(H,29,32)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230348
PNG
(US9340507, 18.2)
Show SMILES Cc1c(-c2cccc(c2)C(F)F)c(=O)c(cn1C1CCC1)C(=O)NCc1ccc(cn1)S(C)(=O)=O
Show InChI InChI=1S/C25H25F2N3O4S/c1-15-22(16-5-3-6-17(11-16)24(26)27)23(31)21(14-30(15)19-7-4-8-19)25(32)29-12-18-9-10-20(13-28-18)35(2,33)34/h3,5-6,9-11,13-14,19,24H,4,7-8,12H2,1-2H3,(H,29,32)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230333
PNG
(US9340507, 11.2)
Show SMILES CC[C@@H](C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(-c2ccnc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C25H26F3N3O4S/c1-5-15(2)31-14-20(24(33)30-13-17-6-8-19(9-7-17)36(4,34)35)23(32)22(16(31)3)18-10-11-29-21(12-18)25(26,27)28/h6-12,14-15H,5,13H2,1-4H3,(H,30,33)/t15-/m1/s1
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230362
PNG
(US9340507, 25.1)
Show SMILES CC[C@@H](C)n1cc(C(=O)NCc2nnc(C)o2)c(=O)c(-c2cccc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C22H23F3N4O3/c1-5-12(2)29-11-17(21(31)26-10-18-28-27-14(4)32-18)20(30)19(13(29)3)15-7-6-8-16(9-15)22(23,24)25/h6-9,11-12H,5,10H2,1-4H3,(H,26,31)/t12-/m1/s1
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230292
PNG
(US9340507, 1.7)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1CC1CC1(F)F)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C26H23F5N2O4S/c1-15-22(17-4-3-5-18(10-17)26(29,30)31)23(34)21(14-33(15)13-19-11-25(19,27)28)24(35)32-12-16-6-8-20(9-7-16)38(2,36)37/h3-10,14,19H,11-13H2,1-2H3,(H,32,35)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230297
PNG
(US9340507, 3.1)
Show SMILES CC(C)n1cc(C(=O)NCc2nnc(C)o2)c(=O)c(-c2cccc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C21H21F3N4O3/c1-11(2)28-10-16(20(30)25-9-17-27-26-13(4)31-17)19(29)18(12(28)3)14-6-5-7-15(8-14)21(22,23)24/h5-8,10-11H,9H2,1-4H3,(H,25,30)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230391
PNG
(US9340507, 47)
Show SMILES COc1cc(ccc1CNC(=O)c1cn(C(C)C)c(C)c(-c2cccc(c2)C(F)(F)F)c1=O)S(C)(=O)=O
Show InChI InChI=1S/C26H27F3N2O5S/c1-15(2)31-14-21(24(32)23(16(31)3)17-7-6-8-19(11-17)26(27,28)29)25(33)30-13-18-9-10-20(37(5,34)35)12-22(18)36-4/h6-12,14-15H,13H2,1-5H3,(H,30,33)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230303
PNG
(US9340507, 3.7)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(N)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O4S/c1-14(2)30-13-20(23(32)29-12-16-7-9-19(10-8-16)35(28,33)34)22(31)21(15(30)3)17-5-4-6-18(11-17)24(25,26)27/h4-11,13-14H,12H2,1-3H3,(H,29,32)(H2,28,33,34)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230351
PNG
(US9340507, 19.3)
Show SMILES CC[C@@H](C)n1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)c(-c2ccnc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C24H25F3N4O4S/c1-5-14(2)31-13-19(23(33)30-11-17-6-7-18(12-29-17)36(4,34)35)22(32)21(15(31)3)16-8-9-28-20(10-16)24(25,26)27/h6-10,12-14H,5,11H2,1-4H3,(H,30,33)/t14-/m1/s1
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230315
PNG
(US9340507, 4.10)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(N)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C24H25F2N3O4S/c1-14(2)29-13-20(24(31)28-12-16-7-9-19(10-8-16)34(27,32)33)22(30)21(15(29)3)17-5-4-6-18(11-17)23(25)26/h4-11,13-14,23H,12H2,1-3H3,(H,28,31)(H2,27,32,33)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230337
PNG
(US9340507, 13)
Show SMILES COCCn1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O5S/c1-16-22(18-5-4-6-19(13-18)25(26,27)28)23(31)21(15-30(16)11-12-35-2)24(32)29-14-17-7-9-20(10-8-17)36(3,33)34/h4-10,13,15H,11-12,14H2,1-3H3,(H,29,32)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230327
PNG
(US9340507, 8.1)
Show SMILES Cc1nnc(CNC(=O)c2cn(C3CCCC3)c(C)c(-c3cccc(c3)C(F)(F)F)c2=O)o1
Show InChI InChI=1S/C23H23F3N4O3/c1-13-20(15-6-5-7-16(10-15)23(24,25)26)21(31)18(12-30(13)17-8-3-4-9-17)22(32)27-11-19-29-28-14(2)33-19/h5-7,10,12,17H,3-4,8-9,11H2,1-2H3,(H,27,32)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230355
PNG
(US9340507, 21)
Show SMILES COCCn1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O5S/c1-15-21(16-5-4-6-17(11-16)24(25,26)27)22(31)20(14-30(15)9-10-35-2)23(32)29-12-18-7-8-19(13-28-18)36(3,33)34/h4-8,11,13-14H,9-10,12H2,1-3H3,(H,29,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230388
PNG
(US9340507, 44)
Show SMILES COC[C@@H](C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C26H28F2N2O5S/c1-16(15-35-3)30-14-22(26(32)29-13-18-8-10-21(11-9-18)36(4,33)34)24(31)23(17(30)2)19-6-5-7-20(12-19)25(27)28/h5-12,14,16,25H,13,15H2,1-4H3,(H,29,32)/t16-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230312
PNG
(US9340507, 4.7)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc3n(C)ncc3c2)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C26H26F2N4O2/c1-15(2)32-14-21(24(33)23(16(32)3)18-6-5-7-19(11-18)25(27)28)26(34)29-12-17-8-9-22-20(10-17)13-30-31(22)4/h5-11,13-15,25H,12H2,1-4H3,(H,29,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230390
PNG
(US9340507, 46)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1CC(F)F)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H21F5N2O4S/c1-14-21(16-4-3-5-17(10-16)24(27,28)29)22(32)19(12-31(14)13-20(25)26)23(33)30-11-15-6-8-18(9-7-15)36(2,34)35/h3-10,12,20H,11,13H2,1-2H3,(H,30,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230359
PNG
(US9340507, 23.3)
Show SMILES CCC(CC)n1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)c(-c2ccnc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C25H27F3N4O4S/c1-5-18(6-2)32-14-20(24(34)31-12-17-7-8-19(13-30-17)37(4,35)36)23(33)22(15(32)3)16-9-10-29-21(11-16)25(26,27)28/h7-11,13-14,18H,5-6,12H2,1-4H3,(H,31,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230393
PNG
(US9340507, 49)
Show SMILES COc1cc(CNC(=O)c2cn(C(C)C)c(C)c(-c3cccc(c3)C(F)(F)F)c2=O)ccc1S(C)(=O)=O
Show InChI InChI=1S/C26H27F3N2O5S/c1-15(2)31-14-20(24(32)23(16(31)3)18-7-6-8-19(12-18)26(27,28)29)25(33)30-13-17-9-10-22(37(5,34)35)21(11-17)36-4/h6-12,14-15H,13H2,1-5H3,(H,30,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230322
PNG
(US9340507, 5.3)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cc(Cl)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H24ClF3N2O4S/c1-14(2)31-13-21(24(33)30-12-16-5-7-20(8-6-16)36(4,34)35)23(32)22(15(31)3)17-9-18(25(27,28)29)11-19(26)10-17/h5-11,13-14H,12H2,1-4H3,(H,30,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230366
PNG
(US9340507, 27.2)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)=O)c(=O)c(-c2ccnc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C24H24F3N3O3S/c1-14(2)30-13-19(23(32)29-12-16-5-7-18(8-6-16)34(4)33)22(31)21(15(30)3)17-9-10-28-20(11-17)24(25,26)27/h5-11,13-14H,12H2,1-4H3,(H,29,32)
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Boehringer Ingelheim International GmbH

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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230310
PNG
(US9340507, 4.5)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)C#N)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C25H23F2N3O2/c1-15(2)30-14-21(25(32)29-13-18-9-7-17(12-28)8-10-18)23(31)22(16(30)3)19-5-4-6-20(11-19)24(26)27/h4-11,14-15,24H,13H2,1-3H3,(H,29,32)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230336
PNG
(US9340507, 12.3)
Show SMILES CC[C@H](C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(-c2ccnc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C25H26F3N3O4S/c1-5-15(2)31-14-20(24(33)30-13-17-6-8-19(9-7-17)36(4,34)35)23(32)22(16(31)3)18-10-11-29-21(12-18)25(26,27)28/h6-12,14-15H,5,13H2,1-4H3,(H,30,33)/t15-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230361
PNG
(US9340507, 24.2)
Show SMILES Cc1nnc(CNC(=O)c2cn(C3CCC3)c(C)c(-c3cccc(c3)C(F)F)c2=O)o1
Show InChI InChI=1S/C22H22F2N4O3/c1-12-19(14-5-3-6-15(9-14)21(23)24)20(29)17(11-28(12)16-7-4-8-16)22(30)25-10-18-27-26-13(2)31-18/h3,5-6,9,11,16,21H,4,7-8,10H2,1-2H3,(H,25,30)
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Boehringer Ingelheim International GmbH

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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230293
PNG
(US9340507, 2.1)
Show SMILES CCn1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O4S/c1-4-29-13-19(22(31)28-11-17-8-9-18(12-27-17)34(3,32)33)21(30)20(14(29)2)15-6-5-7-16(10-15)23(24,25)26/h5-10,12-13H,4,11H2,1-3H3,(H,28,31)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230360
PNG
(US9340507, 24.1)
Show SMILES Cc1nnc(CNC(=O)c2cn(C3CCC3)c(C)c(-c3cccc(c3)C(F)(F)F)c2=O)o1
Show InChI InChI=1S/C22H21F3N4O3/c1-12-19(14-5-3-6-15(9-14)22(23,24)25)20(30)17(11-29(12)16-7-4-8-16)21(31)26-10-18-28-27-13(2)32-18/h3,5-6,9,11,16H,4,7-8,10H2,1-2H3,(H,26,31)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230289
PNG
(US9340507, 1.4)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1CC1CC1)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C26H25F3N2O4S/c1-16-23(19-4-3-5-20(12-19)26(27,28)29)24(32)22(15-31(16)14-18-6-7-18)25(33)30-13-17-8-10-21(11-9-17)36(2,34)35/h3-5,8-12,15,18H,6-7,13-14H2,1-2H3,(H,30,33)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230307
PNG
(US9340507, 4.2)
Show SMILES CC(C)n1cc(C(=O)NCc2cnn(C)c2)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C22H24F2N4O2/c1-13(2)28-12-18(22(30)25-9-15-10-26-27(4)11-15)20(29)19(14(28)3)16-6-5-7-17(8-16)21(23)24/h5-8,10-13,21H,9H2,1-4H3,(H,25,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230323
PNG
(US9340507, 5.4)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1ccc(F)c(c1)C(F)F
Show InChI InChI=1S/C25H25F3N2O4S/c1-14(2)30-13-20(25(32)29-12-16-5-8-18(9-6-16)35(4,33)34)23(31)22(15(30)3)17-7-10-21(26)19(11-17)24(27)28/h5-11,13-14,24H,12H2,1-4H3,(H,29,32)
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Boehringer Ingelheim International GmbH

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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230300
PNG
(US9340507, 3.4)
Show SMILES CC(C)n1cc(C(=O)NCc2cnn(C)c2)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O2/c1-13(2)29-12-18(21(31)26-9-15-10-27-28(4)11-15)20(30)19(14(29)3)16-6-5-7-17(8-16)22(23,24)25/h5-8,10-13H,9H2,1-4H3,(H,26,31)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230354
PNG
(US9340507, 20.3)
Show SMILES CC[C@H](C)n1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)c(-c2ccnc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C24H25F3N4O4S/c1-5-14(2)31-13-19(23(33)30-11-17-6-7-18(12-29-17)36(4,34)35)22(32)21(15(31)3)16-8-9-28-20(10-16)24(25,26)27/h6-10,12-14H,5,11H2,1-4H3,(H,30,33)/t14-/m0/s1
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230314
PNG
(US9340507, 4.9)
Show SMILES CC(C)n1cc(C(=O)NCc2cccc(c2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C25H26F2N2O4S/c1-15(2)29-14-21(25(31)28-13-17-7-5-10-20(11-17)34(4,32)33)23(30)22(16(29)3)18-8-6-9-19(12-18)24(26)27/h5-12,14-15,24H,13H2,1-4H3,(H,28,31)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230343
PNG
(US9340507, 16)
Show SMILES COCCn1cc(C(=O)NCc2ccc(c[n+]2[O-])S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O6S/c1-15-21(16-5-4-6-17(11-16)24(25,26)27)22(31)20(14-29(15)9-10-36-2)23(32)28-12-18-7-8-19(13-30(18)33)37(3,34)35/h4-8,11,13-14H,9-10,12H2,1-3H3,(H,28,32)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230301
PNG
(US9340507, 3.5)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)C#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N3O2/c1-15(2)31-14-21(24(33)30-13-18-9-7-17(12-29)8-10-18)23(32)22(16(31)3)19-5-4-6-20(11-19)25(26,27)28/h4-11,14-15H,13H2,1-3H3,(H,30,33)
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Boehringer Ingelheim International GmbH

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Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230304
PNG
(US9340507, 3.8)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)N2CCNC2=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H27F3N4O3/c1-16(2)34-15-22(24(35)23(17(34)3)19-5-4-6-20(13-19)27(28,29)30)25(36)32-14-18-7-9-21(10-8-18)33-12-11-31-26(33)37/h4-10,13,15-16H,11-12,14H2,1-3H3,(H,31,37)(H,32,36)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230317
PNG
(US9340507, 4.12)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)N2CCNC2=O)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C27H28F2N4O3/c1-16(2)33-15-22(24(34)23(17(33)3)19-5-4-6-20(13-19)25(28)29)26(35)31-14-18-7-9-21(10-8-18)32-12-11-30-27(32)36/h4-10,13,15-16,25H,11-12,14H2,1-3H3,(H,30,36)(H,31,35)
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Boehringer Ingelheim International GmbH

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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230320
PNG
(US9340507, 5.1)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(-c2ccnc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C24H24F3N3O4S/c1-14(2)30-13-19(23(32)29-12-16-5-7-18(8-6-16)35(4,33)34)22(31)21(15(30)3)17-9-10-28-20(11-17)24(25,26)27/h5-11,13-14H,12H2,1-4H3,(H,29,32)
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Boehringer Ingelheim International GmbH

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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230309
PNG
(US9340507, 4.4)
Show SMILES CC(C)n1cc(C(=O)NCc2cccc(=O)[nH]2)c(=O)c(-c2cccc(c2)C(F)F)c1C
Show InChI InChI=1S/C23H23F2N3O3/c1-13(2)28-12-18(23(31)26-11-17-8-5-9-19(29)27-17)21(30)20(14(28)3)15-6-4-7-16(10-15)22(24)25/h4-10,12-13,22H,11H2,1-3H3,(H,26,31)(H,27,29)
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Boehringer Ingelheim International GmbH

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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230344
PNG
(US9340507, 17.1)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)c(-c2cccc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C24H24F3N3O4S/c1-14(2)30-13-20(23(32)29-11-18-8-9-19(12-28-18)35(4,33)34)22(31)21(15(30)3)16-6-5-7-17(10-16)24(25,26)27/h5-10,12-14H,11H2,1-4H3,(H,29,32)
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Boehringer Ingelheim International GmbH

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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230296
PNG
(US9340507, 2.4)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1CC1CCOC1)C(=O)NCc1ccc(cn1)S(C)(=O)=O
Show InChI InChI=1S/C26H26F3N3O5S/c1-16-23(18-4-3-5-19(10-18)26(27,28)29)24(33)22(14-32(16)13-17-8-9-37-15-17)25(34)31-11-20-6-7-21(12-30-20)38(2,35)36/h3-7,10,12,14,17H,8-9,11,13,15H2,1-2H3,(H,31,34)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230346
PNG
(US9340507, 17.3)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)c(-c2ccnc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C23H23F3N4O4S/c1-13(2)30-12-18(22(32)29-10-16-5-6-17(11-28-16)35(4,33)34)21(31)20(14(30)3)15-7-8-27-19(9-15)23(24,25)26/h5-9,11-13H,10H2,1-4H3,(H,29,32)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230291
PNG
(US9340507, 1.6)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1CC1CCOC1)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C27H27F3N2O5S/c1-17-24(20-4-3-5-21(12-20)27(28,29)30)25(33)23(15-32(17)14-19-10-11-37-16-19)26(34)31-13-18-6-8-22(9-7-18)38(2,35)36/h3-9,12,15,19H,10-11,13-14,16H2,1-2H3,(H,31,34)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230302
PNG
(US9340507, 3.6)
Show SMILES CC(C)n1cc(C(=O)NCc2cccc(c2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N2O4S/c1-15(2)30-14-21(24(32)29-13-17-7-5-10-20(11-17)35(4,33)34)23(31)22(16(30)3)18-8-6-9-19(12-18)25(26,27)28/h5-12,14-15H,13H2,1-4H3,(H,29,32)
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Boehringer Ingelheim International GmbH

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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230299
PNG
(US9340507, 3.3)
Show SMILES CC(C)n1cc(C(=O)NCc2cccnn2)c(=O)c(-c2cccc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C22H21F3N4O2/c1-13(2)29-12-18(21(31)26-11-17-8-5-9-27-28-17)20(30)19(14(29)3)15-6-4-7-16(10-15)22(23,24)25/h4-10,12-13H,11H2,1-3H3,(H,26,31)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230324
PNG
(US9340507, 5.5)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(-c2cncc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C24H24F3N3O4S/c1-14(2)30-13-20(23(32)29-10-16-5-7-19(8-6-16)35(4,33)34)22(31)21(15(30)3)17-9-18(12-28-11-17)24(25,26)27/h5-9,11-14H,10H2,1-4H3,(H,29,32)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230298
PNG
(US9340507, 3.2)
Show SMILES CC(C)n1cc(C(=O)NCc2ccncc2)c(=O)c(-c2cccc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C23H22F3N3O2/c1-14(2)29-13-19(22(31)28-12-16-7-9-27-10-8-16)21(30)20(15(29)3)17-5-4-6-18(11-17)23(24,25)26/h4-11,13-14H,12H2,1-3H3,(H,28,31)
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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM230306
PNG
(US9340507, 4.1)
Show SMILES CC(C)n1cc(C(=O)NCc2cccnn2)c(=O)c(-c2cccc(c2)C(F)F)c1C
Show InChI InChI=1S/C22H22F2N4O2/c1-13(2)28-12-18(22(30)25-11-17-8-5-9-26-27-17)20(29)19(14(28)3)15-6-4-7-16(10-15)21(23)24/h4-10,12-13,21H,11H2,1-3H3,(H,25,30)
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Boehringer Ingelheim International GmbH

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Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%