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9 similar compounds to monomer 50004187

Compile data set for download or QSAR
Wt: 601.6
BDBM50004186
Wt: 589.6
BDBM50005146
Wt: 527.5
BDBM50005155
Wt: 527.6
BDBM50005157
Wt: 476.4
BDBM50005160
Wt: 651.7
BDBM50005165
Wt: 533.5
BDBM50005172
Wt: 450.4
BDBM50014573
Wt: 450.4
BDBM50014575

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50004186,50005146,50005155,50005157,50005160,50005165,50005172,50014573,50014575   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50014573
PNG
(CHEMBL26056 | [1-(1-Benzyl-3,3,3-trifluoro-2-oxo-p...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2O4/c1-15(2)19(28-22(31)32-14-17-11-7-4-8-12-17)21(30)27-18(20(29)23(24,25)26)13-16-9-5-3-6-10-16/h3-12,15,18-19H,13-14H2,1-2H3,(H,27,30)(H,28,31)/t18-,19-/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibition of alpha-chymotrypsin


J Med Chem 33: 11-3 (1990)


Article DOI: 10.1021/jm00163a002
BindingDB Entry DOI: 10.7270/Q2K93847
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50014575
PNG
(CHEMBL24108 | [1-(1-Benzyl-3,3,3-trifluoro-2-oxo-p...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2O4/c1-15(2)19(28-22(31)32-14-17-11-7-4-8-12-17)21(30)27-18(20(29)23(24,25)26)13-16-9-5-3-6-10-16/h3-12,15,18-19H,13-14H2,1-2H3,(H,27,30)(H,28,31)/t18-,19+/m1/s1
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4.50E+4n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibition of alpha-chymotrypsin


J Med Chem 33: 11-3 (1990)


Article DOI: 10.1021/jm00163a002
BindingDB Entry DOI: 10.7270/Q2K93847
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005155
PNG
((1-{Cyclopentyl-[(3,3,3-trifluoro-1-isopropyl-2-ox...)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1CCCC1
Show InChI InChI=1S/C26H36F3N3O5/c1-16(2)21(23(34)26(27,28)29)30-20(33)14-32(19-12-8-9-13-19)24(35)22(17(3)4)31-25(36)37-15-18-10-6-5-7-11-18/h5-7,10-11,16-17,19,21-22H,8-9,12-15H2,1-4H3,(H,30,33)(H,31,36)
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n/an/a 156n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005160
PNG
(CHEMBL348882 | Indan-2-yl-[(3,3,3-trifluoro-1-isop...)
Show SMILES CC(C)C(NC(=O)CN(C1Cc2ccccc2C1)C(=O)OCc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H27F3N2O4/c1-16(2)22(23(32)25(26,27)28)29-21(31)14-30(20-12-18-10-6-7-11-19(18)13-20)24(33)34-15-17-8-4-3-5-9-17/h3-11,16,20,22H,12-15H2,1-2H3,(H,29,31)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005165
PNG
(CHEMBL345792 | [1-(Indan-2-yl-{[2-methyl-1-(4-trif...)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(CC(=O)N[C@@H](C(C)C)C(=O)c1ccc(cc1)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C36H40F3N3O5/c1-22(2)31(33(44)25-14-16-28(17-15-25)36(37,38)39)40-30(43)20-42(29-18-26-12-8-9-13-27(26)19-29)34(45)32(23(3)4)41-35(46)47-21-24-10-6-5-7-11-24/h5-17,22-23,29,31-32H,18-21H2,1-4H3,(H,40,43)(H,41,46)/t31-,32?/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005172
PNG
((1-{Indan-2-yl-[(3,3,3-trifluoro-2-oxo-propylcarba...)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(CC(=O)NCC(=O)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C27H30F3N3O5/c1-17(2)24(32-26(37)38-16-18-8-4-3-5-9-18)25(36)33(15-23(35)31-14-22(34)27(28,29)30)21-12-19-10-6-7-11-20(19)13-21/h3-11,17,21,24H,12-16H2,1-2H3,(H,31,35)(H,32,37)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005146
PNG
((1-{Indan-2-yl-[(3,3,3-trifluoro-1-isopropyl-2-oxo...)
Show SMILES CC(C)C(NC(=O)CN(C1Cc2ccccc2C1)C(=O)C(C(C)C)N(C)C(=O)OCc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C31H38F3N3O5/c1-19(2)26(28(39)31(32,33)34)35-25(38)17-37(24-15-22-13-9-10-14-23(22)16-24)29(40)27(20(3)4)36(5)30(41)42-18-21-11-7-6-8-12-21/h6-14,19-20,24,26-27H,15-18H2,1-5H3,(H,35,38)
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n/an/a 1.56E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50004186
PNG
(4-{2-[(2-Benzyloxycarbonylamino-3-methyl-butyryl)-...)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)C(O)=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C31H37F2N3O7/c1-18(2)25(27(38)31(32,33)29(40)41)34-24(37)16-36(23-14-21-12-8-9-13-22(21)15-23)28(39)26(19(3)4)35-30(42)43-17-20-10-6-5-7-11-20/h5-13,18-19,23,25-26H,14-17H2,1-4H3,(H,34,37)(H,35,42)(H,40,41)
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n/an/a>5.00E+3n/an/an/an/a7.5n/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5


J Med Chem 35: 4795-808 (1993)


Article DOI: 10.1021/jm00104a004
BindingDB Entry DOI: 10.7270/Q2HX1BM5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005157
PNG
((1-{Indan-2-yl-[2-(3,3,3-trifluoro-1-isopropyl-2-o...)
Show SMILES CC(C)C(NCCN(C1Cc2ccccc2C1)C(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H40F3N3O4/c1-16(2)21(23(34)27(28,29)30)31-12-13-33(20-14-18-10-8-9-11-19(18)15-20)24(35)22(17(3)4)32-25(36)37-26(5,6)7/h8-11,16-17,20-22,31H,12-15H2,1-7H3,(H,32,36)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
More data for this
Ligand-Target Pair