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PubMed code 9406601

Compile data set for download or QSAR
Found 109 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
Pancreatic elastase


(Sus scrofa)
BDBM50061511
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2c(C)cccc2o1
Show InChI InChI=1S/C29H43N5O6/c1-16-12-11-13-19-22(16)33-27(40-19)23(37)17(2)30-25(38)18(14-21(36)34(9)10)31-26(39)24(29(6,7)8)32-20(35)15-28(3,4)5/h11-13,17-18,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,32,35)/t17?,18-,24+/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease porcine pancreatic elastase (PPE)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50061512
PNG
((S)-N*1*-(2-Benzooxazol-2-yl-1-methyl-2-oxo-ethyl)...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C28H41N5O6/c1-16(22(36)26-31-17-12-10-11-13-19(17)39-26)29-24(37)18(14-21(35)33(8)9)30-25(38)23(28(5,6)7)32-20(34)15-27(2,3)4/h10-13,16,18,23H,14-15H2,1-9H3,(H,29,37)(H,30,38)(H,32,34)/t16?,18-,23+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease porcine pancreatic elastase (PPE)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061532
PNG
((S)-N*1*-{2-[(Benzo[1,3]dioxol-5-ylmethyl)-carbamo...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C30H45N5O8/c1-17(24(38)27(40)31-15-18-10-11-20-21(12-18)43-16-42-20)32-26(39)19(13-23(37)35(8)9)33-28(41)25(30(5,6)7)34-22(36)14-29(2,3)4/h10-12,17,19,25H,13-16H2,1-9H3,(H,31,40)(H,32,39)(H,33,41)(H,34,36)/t17?,19-,25+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061537
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC[C@@H](NC(=O)C(=O)C(C)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C31H49N5O6/c1-11-21(20-15-13-12-14-16-20)33-28(41)25(39)19(2)32-27(40)22(17-24(38)36(9)10)34-29(42)26(31(6,7)8)35-23(37)18-30(3,4)5/h12-16,19,21-22,26H,11,17-18H2,1-10H3,(H,32,40)(H,33,41)(H,34,42)(H,35,37)/t19?,21-,22+,26-/m1/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061518
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C23H37F5N4O5/c1-12(17(35)22(24,25)23(26,27)28)29-18(36)13(10-15(34)32(8)9)30-19(37)16(21(5,6)7)31-14(33)11-20(2,3)4/h12-13,16H,10-11H2,1-9H3,(H,29,36)(H,30,37)(H,31,33)/t12?,13-,16+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061515
PNG
((S)-N*1*-[2-(2-Benzyloxy-ethylcarbamoyl)-1-methyl-...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCCOCc1ccccc1
Show InChI InChI=1S/C31H49N5O7/c1-20(25(39)28(41)32-15-16-43-19-21-13-11-10-12-14-21)33-27(40)22(17-24(38)36(8)9)34-29(42)26(31(5,6)7)35-23(37)18-30(2,3)4/h10-14,20,22,26H,15-19H2,1-9H3,(H,32,41)(H,33,40)(H,34,42)(H,35,37)/t20?,22-,26+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061503
PNG
((S)-N*1*-(2-Benzylcarbamoyl-1-methyl-2-oxo-ethyl)-...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C29H45N5O6/c1-18(23(37)26(39)30-17-19-13-11-10-12-14-19)31-25(38)20(15-22(36)34(8)9)32-27(40)24(29(5,6)7)33-21(35)16-28(2,3)4/h10-14,18,20,24H,15-17H2,1-9H3,(H,30,39)(H,31,38)(H,32,40)(H,33,35)/t18?,20-,24+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50061528
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccc(C)cc2o1
Show InChI InChI=1S/C29H43N5O6/c1-16-11-12-18-20(13-16)40-27(32-18)23(37)17(2)30-25(38)19(14-22(36)34(9)10)31-26(39)24(29(6,7)8)33-21(35)15-28(3,4)5/h11-13,17,19,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,33,35)/t17?,19-,24+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease porcine pancreatic elastase (PPE)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50061509
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C29H43N5O6/c1-16-11-12-20-18(13-16)32-27(40-20)23(37)17(2)30-25(38)19(14-22(36)34(9)10)31-26(39)24(29(6,7)8)33-21(35)15-28(3,4)5/h11-13,17,19,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,33,35)/t17?,19-,24+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease porcine pancreatic elastase (PPE)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061506
PNG
((S)-N*1*-{2-[(1H-Benzoimidazol-2-ylmethyl)-carbamo...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C30H45N7O6/c1-17(24(40)27(42)31-16-21-33-18-12-10-11-13-19(18)34-21)32-26(41)20(14-23(39)37(8)9)35-28(43)25(30(5,6)7)36-22(38)15-29(2,3)4/h10-13,17,20,25H,14-16H2,1-9H3,(H,31,42)(H,32,41)(H,33,34)(H,35,43)(H,36,38)/t17?,20-,25+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061544
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C30H47N5O6/c1-18(20-14-12-11-13-15-20)31-27(40)24(38)19(2)32-26(39)21(16-23(37)35(9)10)33-28(41)25(30(6,7)8)34-22(36)17-29(3,4)5/h11-15,18-19,21,25H,16-17H2,1-10H3,(H,31,40)(H,32,39)(H,33,41)(H,34,36)/t18-,19?,21+,25-/m1/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50061497
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2cccc(C)c2o1
Show InChI InChI=1S/C29H43N5O6/c1-16-12-11-13-18-23(16)40-27(32-18)22(37)17(2)30-25(38)19(14-21(36)34(9)10)31-26(39)24(29(6,7)8)33-20(35)15-28(3,4)5/h11-13,17,19,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,33,35)/t17?,19-,24+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease porcine pancreatic elastase (PPE)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061530
PNG
((S)-N*1*-((S)-3-Benzylcarbamoyl-3,3-difluoro-1-met...)
Show SMILES C[C@H](NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(F)(F)C(=O)NCc1ccccc1
Show InChI InChI=1S/C30H45F2N5O6/c1-18(24(40)30(31,32)27(43)33-17-19-13-11-10-12-14-19)34-25(41)20(15-22(39)37(8)9)35-26(42)23(29(5,6)7)36-21(38)16-28(2,3)4/h10-14,18,20,23H,15-17H2,1-9H3,(H,33,43)(H,34,41)(H,35,42)(H,36,38)/t18-,20-,23+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061509
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C29H43N5O6/c1-16-11-12-20-18(13-16)32-27(40-20)23(37)17(2)30-25(38)19(14-22(36)34(9)10)31-26(39)24(29(6,7)8)33-21(35)15-28(3,4)5/h11-13,17,19,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,33,35)/t17?,19-,24+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061528
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccc(C)cc2o1
Show InChI InChI=1S/C29H43N5O6/c1-16-11-12-18-20(13-16)40-27(32-18)23(37)17(2)30-25(38)19(14-22(36)34(9)10)31-26(39)24(29(6,7)8)33-21(35)15-28(3,4)5/h11-13,17,19,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,33,35)/t17?,19-,24+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061512
PNG
((S)-N*1*-(2-Benzooxazol-2-yl-1-methyl-2-oxo-ethyl)...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C28H41N5O6/c1-16(22(36)26-31-17-12-10-11-13-19(17)39-26)29-24(37)18(14-21(35)33(8)9)30-25(38)23(28(5,6)7)32-20(34)15-27(2,3)4/h10-13,16,18,23H,14-15H2,1-9H3,(H,29,37)(H,30,38)(H,32,34)/t16?,18-,23+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061516
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)P(=O)C(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C33H49N4O7P/c1-22(45(42)31(43-23-16-12-10-13-17-23)44-24-18-14-11-15-19-24)34-29(40)25(20-27(39)37(8)9)35-30(41)28(33(5,6)7)36-26(38)21-32(2,3)4/h10-19,22,25,28,31,45H,20-21H2,1-9H3,(H,34,40)(H,35,41)(H,36,38)/t22?,25-,28+/m0/s1
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n/an/a 660n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061511
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2c(C)cccc2o1
Show InChI InChI=1S/C29H43N5O6/c1-16-12-11-13-19-22(16)33-27(40-19)23(37)17(2)30-25(38)18(14-21(36)34(9)10)31-26(39)24(29(6,7)8)32-20(35)15-28(3,4)5/h11-13,17-18,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,32,35)/t17?,18-,24+/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061551
PNG
((S)-2-{(S)-2-[3-(4-Hydroxy-phenyl)-propionylamino]...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CCc1ccc(O)cc1)C(C)(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H35F3N4O6/c1-14(21(36)25(26,27)28)29-22(37)17(13-19(35)32(5)6)30-23(38)20(24(2,3)4)31-18(34)12-9-15-7-10-16(33)11-8-15/h7-8,10-11,14,17,20,33H,9,12-13H2,1-6H3,(H,29,37)(H,30,38)(H,31,34)/t14?,17-,20+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061505
PNG
((S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylam...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N(C)C)C(=O)NC(C)C(=O)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C23H38F3N5O6/c1-11(2)16(28-13(4)32)20(36)30-17(22(5,6)7)21(37)29-14(10-15(33)31(8)9)19(35)27-12(3)18(34)23(24,25)26/h11-12,14,16-17H,10H2,1-9H3,(H,27,35)(H,28,32)(H,29,37)(H,30,36)/t12?,14-,16-,17+/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061553
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CNC(=O)C(=O)C(C)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C23H41N5O6/c1-13(17(31)20(33)24-8)25-19(32)14(11-16(30)28(9)10)26-21(34)18(23(5,6)7)27-15(29)12-22(2,3)4/h13-14,18H,11-12H2,1-10H3,(H,24,33)(H,25,32)(H,26,34)(H,27,29)/t13?,14-,18+/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061498
PNG
((S)-2-((S)-2-(3,3-dimethylbutanamido)-3,3-dimethyl...)
Show SMILES C[C@H](NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H37F3N4O5/c1-12(17(32)22(23,24)25)26-18(33)13(10-15(31)29(8)9)27-19(34)16(21(5,6)7)28-14(30)11-20(2,3)4/h12-13,16H,10-11H2,1-9H3,(H,26,33)(H,27,34)(H,28,30)/t12-,13-,16+/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061510
PNG
((S)-N*1*-(2-Benzothiazol-2-yl-1-methyl-2-oxo-ethyl...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H41N5O5S/c1-16(22(36)26-31-17-12-10-11-13-19(17)39-26)29-24(37)18(14-21(35)33(8)9)30-25(38)23(28(5,6)7)32-20(34)15-27(2,3)4/h10-13,16,18,23H,14-15H2,1-9H3,(H,29,37)(H,30,38)(H,32,34)/t16?,18-,23+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061540
PNG
((S)-2-[(S)-3,3-Dimethyl-2-(3-methyl-butyrylamino)-...)
Show SMILES CC(C)CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N(C)C)C(=O)NC(C)C(=O)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C21H35F3N4O5/c1-11(2)9-14(29)27-16(20(4,5)6)19(33)26-13(10-15(30)28(7)8)18(32)25-12(3)17(31)21(22,23)24/h11-13,16H,9-10H2,1-8H3,(H,25,32)(H,26,33)(H,27,29)/t12?,13-,16+/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061534
PNG
(4-{(S)-1-[(S)-2-Dimethylcarbamoyl-1-(3,3,3-trifluo...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CCCC(O)=O)C(C)(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C21H33F3N4O7/c1-11(17(33)21(22,23)24)25-18(34)12(10-14(30)28(5)6)26-19(35)16(20(2,3)4)27-13(29)8-7-9-15(31)32/h11-12,16H,7-10H2,1-6H3,(H,25,34)(H,26,35)(H,27,29)(H,31,32)/t11?,12-,16+/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061526
PNG
((S)-2-{(S)-2-[(S)-2-(2-Acetylamino-acetylamino)-3-...)
Show SMILES CC(C)[C@H](NC(=O)CNC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NC(C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H35F3N6O7/c1-9(2)16(30-15(34)8-27-12(6)32)21(38)31-17(10(3)4)20(37)29-13(7-14(26)33)19(36)28-11(5)18(35)22(23,24)25/h9-11,13,16-17H,7-8H2,1-6H3,(H2,26,33)(H,27,32)(H,28,36)(H,29,37)(H,30,34)(H,31,38)/t11?,13-,16-,17-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061538
PNG
((S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylam...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N(C)C)C(=O)NC(C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H36F3N5O6/c1-10(2)16(27-13(6)31)21(36)29-17(11(3)4)20(35)28-14(9-15(32)30(7)8)19(34)26-12(5)18(33)22(23,24)25/h10-12,14,16-17H,9H2,1-8H3,(H,26,34)(H,27,31)(H,28,35)(H,29,36)/t12?,14-,16-,17-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061523
PNG
((S)-2-[(S)-2-(3-tert-Butyl-ureido)-3,3-dimethyl-bu...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C21H36F3N5O5/c1-11(15(31)21(22,23)24)25-16(32)12(10-13(30)29(8)9)26-17(33)14(19(2,3)4)27-18(34)28-20(5,6)7/h11-12,14H,10H2,1-9H3,(H,25,32)(H,26,33)(H2,27,28,34)/t11?,12-,14+/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061521
PNG
((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-2-hydroxy-a...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](O)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)C(=O)C(F)(F)F
Show InChI InChI=1S/C28H41F3N6O8/c1-14(2)21(25(43)35-19(7-5-6-12-32)23(41)33-15(3)22(40)28(29,30)31)37-24(42)20(13-17-8-10-18(39)11-9-17)36-27(45)26(44)34-16(4)38/h8-11,14-15,19-21,26,39,44H,5-7,12-13,32H2,1-4H3,(H,33,41)(H,34,38)(H,35,43)(H,36,45)(H,37,42)/t15?,19-,20-,21-,26-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061546
PNG
((S)-2-((S)-2-Acetylamino-3,3-dimethyl-butyrylamino...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(C)=O)C(C)(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C18H29F3N4O5/c1-9(14(28)18(19,20)21)22-15(29)11(8-12(27)25(6)7)24-16(30)13(17(3,4)5)23-10(2)26/h9,11,13H,8H2,1-7H3,(H,22,29)(H,23,26)(H,24,30)/t9?,11-,13+/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061497
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2cccc(C)c2o1
Show InChI InChI=1S/C29H43N5O6/c1-16-12-11-13-18-23(16)40-27(32-18)22(37)17(2)30-25(38)19(14-21(36)34(9)10)31-26(39)24(29(6,7)8)33-20(35)15-28(3,4)5/h11-13,17,19,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,33,35)/t17?,19-,24+/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061522
PNG
((S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylam...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NC(C)C(=O)C(F)(F)F
Show InChI InChI=1S/C20H32F3N5O6/c1-8(2)14(26-11(6)29)19(34)28-15(9(3)4)18(33)27-12(7-13(24)30)17(32)25-10(5)16(31)20(21,22)23/h8-10,12,14-15H,7H2,1-6H3,(H2,24,30)(H,25,32)(H,26,29)(H,27,33)(H,28,34)/t10?,12-,14-,15-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061520
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butylamino)-3,3-dimethy...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NCCC(C)(C)C)C(C)(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H39F3N4O4/c1-13(17(31)22(23,24)25)27-18(32)14(12-15(30)29(8)9)28-19(33)16(21(5,6)7)26-11-10-20(2,3)4/h13-14,16,26H,10-12H2,1-9H3,(H,27,32)(H,28,33)/t13?,14-,16+/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061536
PNG
((S)-2-[(S)-2-(2-Dimethylamino-acetylamino)-3,3-dim...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CN(C)C)C(C)(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C20H34F3N5O5/c1-11(16(31)20(21,22)23)24-17(32)12(9-14(30)28(7)8)25-18(33)15(19(2,3)4)26-13(29)10-27(5)6/h11-12,15H,9-10H2,1-8H3,(H,24,32)(H,25,33)(H,26,29)/t11?,12-,15+/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061531
PNG
((S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylam...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(=O)N(C)C)C(=O)NC(C)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H40F3N5O6/c1-12(2)18(29-14(4)33)22(38)31-16(11-23(5,6)7)21(37)30-15(10-17(34)32(8)9)20(36)28-13(3)19(35)24(25,26)27/h12-13,15-16,18H,10-11H2,1-9H3,(H,28,36)(H,29,33)(H,30,37)(H,31,38)/t13?,15-,16-,18-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061539
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C30H47N5O6/c1-18(20-14-12-11-13-15-20)31-27(40)24(38)19(2)32-26(39)21(16-23(37)35(9)10)33-28(41)25(30(6,7)8)34-22(36)17-29(3,4)5/h11-15,18-19,21,25H,16-17H2,1-10H3,(H,31,40)(H,32,39)(H,33,41)(H,34,36)/t18-,19?,21-,25+/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061514
PNG
((S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylam...)
Show SMILES CC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(=O)N(C)C)C(=O)NC(C)C(=O)C(F)(F)F
Show InChI InChI=1S/C21H34F3N5O6/c1-8-13(27-20(35)16(10(2)3)26-12(5)30)18(33)28-14(9-15(31)29(6)7)19(34)25-11(4)17(32)21(22,23)24/h10-11,13-14,16H,8-9H2,1-7H3,(H,25,34)(H,26,30)(H,27,35)(H,28,33)/t11?,13-,14-,16-/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50061503
PNG
((S)-N*1*-(2-Benzylcarbamoyl-1-methyl-2-oxo-ethyl)-...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C29H45N5O6/c1-18(23(37)26(39)30-17-19-13-11-10-12-14-19)31-25(38)20(15-22(36)34(8)9)32-27(40)24(29(5,6)7)33-21(35)16-28(2,3)4/h10-14,18,20,24H,15-17H2,1-9H3,(H,30,39)(H,31,38)(H,32,40)(H,33,35)/t18?,20-,24+/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease porcine pancreatic elastase (PPE)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061542
PNG
((S)-2-Acetylamino-3-methyl-N-{(S)-2-methyl-1-[(S)-...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H35F3N4O5/c1-13(2)19(30-16(6)33)24(37)32-20(14(3)4)23(36)31-18(12-17-10-8-7-9-11-17)22(35)29-15(5)21(34)25(26,27)28/h7-11,13-15,18-20H,12H2,1-6H3,(H,29,35)(H,30,33)(H,31,36)(H,32,37)/t15?,18-,19-,20-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061541
PNG
((S)-2-Acetylamino-3-methyl-N-{(S)-2-methyl-1-[(S)-...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cscn1)C(=O)NC(C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H32F3N5O5S/c1-10(2)16(28-13(6)31)21(35)30-17(11(3)4)20(34)29-15(7-14-8-36-9-26-14)19(33)27-12(5)18(32)22(23,24)25/h8-12,15-17H,7H2,1-6H3,(H,27,33)(H,28,31)(H,29,34)(H,30,35)/t12?,15-,16-,17-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061502
PNG
((S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylam...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N(C)C)C(=O)NC(C)C(=O)C(F)(F)F)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C29H44F3N5O6/c1-14(2)22(34-16(4)38)26(42)36-23(28-11-17-7-18(12-28)9-19(8-17)13-28)27(43)35-20(10-21(39)37(5)6)25(41)33-15(3)24(40)29(30,31)32/h14-15,17-20,22-23H,7-13H2,1-6H3,(H,33,41)(H,34,38)(H,35,43)(H,36,42)/t15?,17?,18?,19?,20-,22-,23+,28?/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061547
PNG
(CHEMBL133346 | {(S)-1-[(S)-2-Dimethylcarbamoyl-1-(...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C21H35F3N4O6/c1-11(15(30)21(22,23)24)25-16(31)12(10-13(29)28(8)9)26-17(32)14(19(2,3)4)27-18(33)34-20(5,6)7/h11-12,14H,10H2,1-9H3,(H,25,31)(H,26,32)(H,27,33)/t11?,12-,14+/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061517
PNG
((S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylam...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)C(=O)C(F)(F)F
Show InChI InChI=1S/C21H34F3N5O6/c1-9(2)15(27-12(6)30)20(35)29-16(10(3)4)19(34)28-13(7-8-14(25)31)18(33)26-11(5)17(32)21(22,23)24/h9-11,13,15-16H,7-8H2,1-6H3,(H2,25,31)(H,26,33)(H,27,30)(H,28,34)(H,29,35)/t11?,13-,15-,16-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061508
PNG
((S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylam...)
Show SMILES CCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C21H34F3N5O6/c1-7-12(17(32)21(22,23)24)27-18(33)13(8-14(25)31)28-19(34)16(10(4)5)29-20(35)15(9(2)3)26-11(6)30/h9-10,12-13,15-16H,7-8H2,1-6H3,(H2,25,31)(H,26,30)(H,27,33)(H,28,34)(H,29,35)/t12?,13-,15-,16-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50061510
PNG
((S)-N*1*-(2-Benzothiazol-2-yl-1-methyl-2-oxo-ethyl...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H41N5O5S/c1-16(22(36)26-31-17-12-10-11-13-19(17)39-26)29-24(37)18(14-21(35)33(8)9)30-25(38)23(28(5,6)7)32-20(34)15-27(2,3)4/h10-13,16,18,23H,14-15H2,1-9H3,(H,29,37)(H,30,38)(H,32,34)/t16?,18-,23+/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease porcine pancreatic elastase (PPE)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061500
PNG
((S)-2-((S)-2-(3,3-dimethylbutanamido)-3,3-dimethyl...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ncccc2o1
Show InChI InChI=1S/C27H40N6O6/c1-15(20(36)25-32-22-17(39-25)11-10-12-28-22)29-23(37)16(13-19(35)33(8)9)30-24(38)21(27(5,6)7)31-18(34)14-26(2,3)4/h10-12,15-16,21H,13-14H2,1-9H3,(H,29,37)(H,30,38)(H,31,34)/t15?,16-,21+/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061529
PNG
((S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylam...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C)C(=O)NC(C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H37F3N4O5/c1-10(2)9-15(19(32)26-13(7)18(31)22(23,24)25)28-20(33)17(12(5)6)29-21(34)16(11(3)4)27-14(8)30/h10-13,15-17H,9H2,1-8H3,(H,26,32)(H,27,30)(H,28,33)(H,29,34)/t13?,15-,16-,17-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061501
PNG
((S)-2-((S)-2-Amino-3,3-dimethyl-butyrylamino)-N*4*...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](N)C(C)(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C16H27F3N4O4/c1-8(12(25)16(17,18)19)21-13(26)9(7-10(24)23(5)6)22-14(27)11(20)15(2,3)4/h8-9,11H,7,20H2,1-6H3,(H,21,26)(H,22,27)/t8?,9-,11+/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50061518
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C23H37F5N4O5/c1-12(17(35)22(24,25)23(26,27)28)29-18(36)13(10-15(34)32(8)9)30-19(37)16(21(5,6)7)31-14(33)11-20(2,3)4/h12-13,16H,10-11H2,1-9H3,(H,29,36)(H,30,37)(H,31,33)/t12?,13-,16+/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease bovine pancreatic Alpha-Chymotrypsinogen (BPC)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061525
PNG
((S)-3-((S)-2-Acetylamino-3-methyl-butyrylamino)-N-...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N(C)C)C(=O)NC(C)C(=O)C(F)(F)F)C(C)(C)C(O)=O
Show InChI InChI=1S/C23H36F3N5O8/c1-10(2)15(28-12(4)32)19(36)30-16(22(5,6)21(38)39)20(37)29-13(9-14(33)31(7)8)18(35)27-11(3)17(34)23(24,25)26/h10-11,13,15-16H,9H2,1-8H3,(H,27,35)(H,28,32)(H,29,37)(H,30,36)(H,38,39)/t11?,13-,15-,16+/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50061510
PNG
((S)-N*1*-(2-Benzothiazol-2-yl-1-methyl-2-oxo-ethyl...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H41N5O5S/c1-16(22(36)26-31-17-12-10-11-13-19(17)39-26)29-24(37)18(14-21(35)33(8)9)30-25(38)23(28(5,6)7)32-20(34)15-27(2,3)4/h10-13,16,18,23H,14-15H2,1-9H3,(H,29,37)(H,30,38)(H,32,34)/t16?,18-,23+/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease human liver Cathepsin B (cat-B )


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061549
PNG
((S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylam...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NC(C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H38F3N5O5/c1-11(2)16(28-14(6)31)21(35)30-17(12(3)4)20(34)29-15(9-7-8-10-26)19(33)27-13(5)18(32)22(23,24)25/h11-13,15-17H,7-10,26H2,1-6H3,(H,27,33)(H,28,31)(H,29,34)(H,30,35)/t13?,15-,16-,17-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061507
PNG
((S)-2-((S)-2-Hydroxy-3,3-dimethyl-butyrylamino)-N*...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](O)C(C)(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C16H26F3N3O5/c1-8(11(24)16(17,18)19)20-13(26)9(7-10(23)22(5)6)21-14(27)12(25)15(2,3)4/h8-9,12,25H,7H2,1-6H3,(H,20,26)(H,21,27)/t8?,9-,12+/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50061498
PNG
((S)-2-((S)-2-(3,3-dimethylbutanamido)-3,3-dimethyl...)
Show SMILES C[C@H](NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H37F3N4O5/c1-12(17(32)22(23,24)25)26-18(33)13(10-15(31)29(8)9)27-19(34)16(21(5,6)7)28-14(30)11-20(2,3)4/h12-13,16H,10-11H2,1-9H3,(H,26,33)(H,27,34)(H,28,30)/t12-,13-,16+/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease porcine pancreatic elastase (PPE)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061543
PNG
((S)-3-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylam...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)NC(C)C(=O)C(F)(F)F
Show InChI InChI=1S/C20H31F3N4O7/c1-8(2)14(25-11(6)28)19(34)27-15(9(3)4)18(33)26-12(7-13(29)30)17(32)24-10(5)16(31)20(21,22)23/h8-10,12,14-15H,7H2,1-6H3,(H,24,32)(H,25,28)(H,26,33)(H,27,34)(H,29,30)/t10?,12-,14-,15-/m0/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061504
PNG
((S)-N*1*-((S)-1-Benzyloxy-2-oxo-azetidin-3-yl)-2-[...)
Show SMILES CN(C)C(=O)C[C@H](NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)N[C@H]1CN(OCc2ccccc2)C1=O
Show InChI InChI=1S/C28H43N5O6/c1-27(2,3)15-21(34)31-23(28(4,5)6)25(37)29-19(14-22(35)32(7)8)24(36)30-20-16-33(26(20)38)39-17-18-12-10-9-11-13-18/h9-13,19-20,23H,14-17H2,1-8H3,(H,29,37)(H,30,36)(H,31,34)/t19-,20-,23+/m0/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50061518
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C23H37F5N4O5/c1-12(17(35)22(24,25)23(26,27)28)29-18(36)13(10-15(34)32(8)9)30-19(37)16(21(5,6)7)31-14(33)11-20(2,3)4/h12-13,16H,10-11H2,1-9H3,(H,29,36)(H,30,37)(H,31,33)/t12?,13-,16+/m0/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease porcine pancreatic elastase (PPE)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061545
PNG
((S)-2-((S)-2-Acetylamino-3-methyl-butyrylamino)-N*...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)C(F)(F)F
Show InChI InChI=1S/C15H23F3N4O5/c1-6(2)11(21-8(4)23)14(27)22-9(5-10(19)24)13(26)20-7(3)12(25)15(16,17)18/h6-7,9,11H,5H2,1-4H3,(H2,19,24)(H,20,26)(H,21,23)(H,22,27)/t7-,9-,11-/m0/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50061530
PNG
((S)-N*1*-((S)-3-Benzylcarbamoyl-3,3-difluoro-1-met...)
Show SMILES C[C@H](NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(F)(F)C(=O)NCc1ccccc1
Show InChI InChI=1S/C30H45F2N5O6/c1-18(24(40)30(31,32)27(43)33-17-19-13-11-10-12-14-19)34-25(41)20(15-22(39)37(8)9)35-26(42)23(29(5,6)7)36-21(38)16-28(2,3)4/h10-14,18,20,23H,15-17H2,1-9H3,(H,33,43)(H,34,41)(H,35,42)(H,36,38)/t18-,20-,23+/m0/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease porcine pancreatic elastase (PPE)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061550
PNG
((S)-2-Acetylamino-N-{(S)-1-[(S)-2-hydroxy-1-(3,3,3...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)NC(C)C(=O)C(F)(F)F
Show InChI InChI=1S/C19H31F3N4O6/c1-8(2)13(24-11(6)28)18(32)26-14(9(3)4)17(31)25-12(7-27)16(30)23-10(5)15(29)19(20,21)22/h8-10,12-14,27H,7H2,1-6H3,(H,23,30)(H,24,28)(H,25,31)(H,26,32)/t10?,12-,13-,14-/m0/s1
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n/an/a 5.20E+4n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061533
PNG
((S)-2-(3,3-Dimethyl-butyrylamino)-N*4*,N*4*-dimeth...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)CC(C)(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C16H26F3N3O4/c1-9(13(25)16(17,18)19)20-14(26)10(7-12(24)22(5)6)21-11(23)8-15(2,3)4/h9-10H,7-8H2,1-6H3,(H,20,26)(H,21,23)/t9?,10-/m0/s1
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n/an/a 5.70E+4n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50061500
PNG
((S)-2-((S)-2-(3,3-dimethylbutanamido)-3,3-dimethyl...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ncccc2o1
Show InChI InChI=1S/C27H40N6O6/c1-15(20(36)25-32-22-17(39-25)11-10-12-28-22)29-23(37)16(13-19(35)33(8)9)30-24(38)21(27(5,6)7)31-18(34)14-26(2,3)4/h10-12,15-16,21H,13-14H2,1-9H3,(H,29,37)(H,30,38)(H,31,34)/t15?,16-,21+/m0/s1
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n/an/a 5.90E+4n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease human liver Cathepsin B (cat-B )


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061513
PNG
((S)-2-((S)-2-Acetylamino-3-methyl-butyrylamino)-3-...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C(=O)C(F)(F)F
Show InChI InChI=1S/C21H35F3N4O5/c1-9(2)14(26-13(8)29)19(32)28-16(11(5)6)20(33)27-15(10(3)4)18(31)25-12(7)17(30)21(22,23)24/h9-12,14-16H,1-8H3,(H,25,31)(H,26,29)(H,27,33)(H,28,32)/t12?,14-,15-,16-/m0/s1
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n/an/a 6.10E+4n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50061504
PNG
((S)-N*1*-((S)-1-Benzyloxy-2-oxo-azetidin-3-yl)-2-[...)
Show SMILES CN(C)C(=O)C[C@H](NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)N[C@H]1CN(OCc2ccccc2)C1=O
Show InChI InChI=1S/C28H43N5O6/c1-27(2,3)15-21(34)31-23(28(4,5)6)25(37)29-19(14-22(35)32(7)8)24(36)30-20-16-33(26(20)38)39-17-18-12-10-9-11-13-18/h9-13,19-20,23H,14-17H2,1-8H3,(H,29,37)(H,30,36)(H,31,34)/t19-,20-,23+/m0/s1
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n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease bovine pancreatic Alpha-Chymotrypsinogen (BPC)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061552
PNG
((S)-2-((S)-2-Acetylamino-3-methyl-butyrylamino)-N*...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)NC(C)C(=O)C(F)(F)F
Show InChI InChI=1S/C15H23F3N4O5/c1-6(2)11(21-8(4)23)14(27)22-9(5-10(19)24)13(26)20-7(3)12(25)15(16,17)18/h6-7,9,11H,5H2,1-4H3,(H2,19,24)(H,20,26)(H,21,23)(H,22,27)/t7?,9-,11-/m0/s1
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n/an/a 8.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061548
PNG
((S)-2-Acetylamino-3-methyl-N-{(S)-2-methyl-1-[(S)-...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NC(C)C(=O)C(F)(F)F
Show InChI InChI=1S/C19H31F3N4O5/c1-8(2)13(25-12(7)27)18(31)26-14(9(3)4)17(30)24-11(6)16(29)23-10(5)15(28)19(20,21)22/h8-11,13-14H,1-7H3,(H,23,29)(H,24,30)(H,25,27)(H,26,31)/t10?,11-,13-,14-/m0/s1
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n/an/a 8.30E+4n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061512
PNG
((S)-N*1*-(2-Benzooxazol-2-yl-1-methyl-2-oxo-ethyl)...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C28H41N5O6/c1-16(22(36)26-31-17-12-10-11-13-19(17)39-26)29-24(37)18(14-21(35)33(8)9)30-25(38)23(28(5,6)7)32-20(34)15-27(2,3)4/h10-13,16,18,23H,14-15H2,1-9H3,(H,29,37)(H,30,38)(H,32,34)/t16?,18-,23+/m0/s1
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n/an/a 1.83E+5n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase(HLE) serine protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50061528
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccc(C)cc2o1
Show InChI InChI=1S/C29H43N5O6/c1-16-11-12-18-20(13-16)40-27(32-18)23(37)17(2)30-25(38)19(14-22(36)34(9)10)31-26(39)24(29(6,7)8)33-21(35)15-28(3,4)5/h11-13,17,19,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,33,35)/t17?,19-,24+/m0/s1
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n/an/a 2.25E+5n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease human liver Cathepsin B (cat-B )


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061524
PNG
((S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylam...)
Show SMILES CCCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H36F3N5O6/c1-7-8-13(18(33)22(23,24)25)28-19(34)14(9-15(26)32)29-20(35)17(11(4)5)30-21(36)16(10(2)3)27-12(6)31/h10-11,13-14,16-17H,7-9H2,1-6H3,(H2,26,32)(H,27,31)(H,28,34)(H,29,35)(H,30,36)/t13?,14-,16-,17-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50061498
PNG
((S)-2-((S)-2-(3,3-dimethylbutanamido)-3,3-dimethyl...)
Show SMILES C[C@H](NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H37F3N4O5/c1-12(17(32)22(23,24)25)26-18(33)13(10-15(31)29(8)9)27-19(34)16(21(5,6)7)28-14(30)11-20(2,3)4/h12-13,16H,10-11H2,1-9H3,(H,26,33)(H,27,34)(H,28,30)/t12-,13-,16+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease bovine pancreatic Alpha-Chymotrypsinogen (BPC)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50061497
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2cccc(C)c2o1
Show InChI InChI=1S/C29H43N5O6/c1-16-12-11-13-18-23(16)40-27(32-18)22(37)17(2)30-25(38)19(14-21(36)34(9)10)31-26(39)24(29(6,7)8)33-20(35)15-28(3,4)5/h11-13,17,19,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,33,35)/t17?,19-,24+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease human liver Cathepsin B (cat-B )


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50061497
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2cccc(C)c2o1
Show InChI InChI=1S/C29H43N5O6/c1-16-12-11-13-18-23(16)40-27(32-18)22(37)17(2)30-25(38)19(14-21(36)34(9)10)31-26(39)24(29(6,7)8)33-20(35)15-28(3,4)5/h11-13,17,19,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,33,35)/t17?,19-,24+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease bovine pancreatic Alpha-Chymotrypsinogen (BPC)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50061511
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2c(C)cccc2o1
Show InChI InChI=1S/C29H43N5O6/c1-16-12-11-13-19-22(16)33-27(40-19)23(37)17(2)30-25(38)18(14-21(36)34(9)10)31-26(39)24(29(6,7)8)32-20(35)15-28(3,4)5/h11-13,17-18,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,32,35)/t17?,18-,24+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease bovine pancreatic Alpha-Chymotrypsinogen (BPC)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061497
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2cccc(C)c2o1
Show InChI InChI=1S/C29H43N5O6/c1-16-12-11-13-18-23(16)40-27(32-18)22(37)17(2)30-25(38)19(14-21(36)34(9)10)31-26(39)24(29(6,7)8)33-20(35)15-28(3,4)5/h11-13,17,19,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,33,35)/t17?,19-,24+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase(HLE) serine protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50061511
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2c(C)cccc2o1
Show InChI InChI=1S/C29H43N5O6/c1-16-12-11-13-19-22(16)33-27(40-19)23(37)17(2)30-25(38)18(14-21(36)34(9)10)31-26(39)24(29(6,7)8)32-20(35)15-28(3,4)5/h11-13,17-18,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,32,35)/t17?,18-,24+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease human liver Cathepsin B (cat-B )


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061518
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C23H37F5N4O5/c1-12(17(35)22(24,25)23(26,27)28)29-18(36)13(10-15(34)32(8)9)30-19(37)16(21(5,6)7)31-14(33)11-20(2,3)4/h12-13,16H,10-11H2,1-9H3,(H,29,36)(H,30,37)(H,31,33)/t12?,13-,16+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase(HLE) serine protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061530
PNG
((S)-N*1*-((S)-3-Benzylcarbamoyl-3,3-difluoro-1-met...)
Show SMILES C[C@H](NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(F)(F)C(=O)NCc1ccccc1
Show InChI InChI=1S/C30H45F2N5O6/c1-18(24(40)30(31,32)27(43)33-17-19-13-11-10-12-14-19)34-25(41)20(15-22(39)37(8)9)35-26(42)23(29(5,6)7)36-21(38)16-28(2,3)4/h10-14,18,20,23H,15-17H2,1-9H3,(H,33,43)(H,34,41)(H,35,42)(H,36,38)/t18-,20-,23+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase(HLE) serine protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50061530
PNG
((S)-N*1*-((S)-3-Benzylcarbamoyl-3,3-difluoro-1-met...)
Show SMILES C[C@H](NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(F)(F)C(=O)NCc1ccccc1
Show InChI InChI=1S/C30H45F2N5O6/c1-18(24(40)30(31,32)27(43)33-17-19-13-11-10-12-14-19)34-25(41)20(15-22(39)37(8)9)35-26(42)23(29(5,6)7)36-21(38)16-28(2,3)4/h10-14,18,20,23H,15-17H2,1-9H3,(H,33,43)(H,34,41)(H,35,42)(H,36,38)/t18-,20-,23+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease bovine pancreatic Alpha-Chymotrypsinogen (BPC)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061535
PNG
((S)-2-((S)-2-Acetylamino-3-methyl-butyrylamino)-N*...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C)C(=O)C(F)(F)F
Show InChI InChI=1S/C15H23F3N4O5/c1-6(2)11(21-8(4)23)14(27)22-9(5-10(19)24)13(26)20-7(3)12(25)15(16,17)18/h6-7,9,11H,5H2,1-4H3,(H2,19,24)(H,20,26)(H,21,23)(H,22,27)/t7-,9+,11+/m1/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50061500
PNG
((S)-2-((S)-2-(3,3-dimethylbutanamido)-3,3-dimethyl...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ncccc2o1
Show InChI InChI=1S/C27H40N6O6/c1-15(20(36)25-32-22-17(39-25)11-10-12-28-22)29-23(37)16(13-19(35)33(8)9)30-24(38)21(27(5,6)7)31-18(34)14-26(2,3)4/h10-12,15-16,21H,13-14H2,1-9H3,(H,29,37)(H,30,38)(H,31,34)/t15?,16-,21+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease bovine pancreatic Alpha-Chymotrypsinogen (BPC)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061503
PNG
((S)-N*1*-(2-Benzylcarbamoyl-1-methyl-2-oxo-ethyl)-...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C29H45N5O6/c1-18(23(37)26(39)30-17-19-13-11-10-12-14-19)31-25(38)20(15-22(36)34(8)9)32-27(40)24(29(5,6)7)33-21(35)16-28(2,3)4/h10-14,18,20,24H,15-17H2,1-9H3,(H,30,39)(H,31,38)(H,32,40)(H,33,35)/t18?,20-,24+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase(HLE) serine protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061510
PNG
((S)-N*1*-(2-Benzothiazol-2-yl-1-methyl-2-oxo-ethyl...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H41N5O5S/c1-16(22(36)26-31-17-12-10-11-13-19(17)39-26)29-24(37)18(14-21(35)33(8)9)30-25(38)23(28(5,6)7)32-20(34)15-27(2,3)4/h10-13,16,18,23H,14-15H2,1-9H3,(H,29,37)(H,30,38)(H,32,34)/t16?,18-,23+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase(HLE) serine protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061511
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2c(C)cccc2o1
Show InChI InChI=1S/C29H43N5O6/c1-16-12-11-13-19-22(16)33-27(40-19)23(37)17(2)30-25(38)18(14-21(36)34(9)10)31-26(39)24(29(6,7)8)32-20(35)15-28(3,4)5/h11-13,17-18,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,32,35)/t17?,18-,24+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase(HLE) serine protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061509
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C29H43N5O6/c1-16-11-12-20-18(13-16)32-27(40-20)23(37)17(2)30-25(38)19(14-22(36)34(9)10)31-26(39)24(29(6,7)8)33-21(35)15-28(3,4)5/h11-13,17,19,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,33,35)/t17?,19-,24+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase(HLE) serine protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50061504
PNG
((S)-N*1*-((S)-1-Benzyloxy-2-oxo-azetidin-3-yl)-2-[...)
Show SMILES CN(C)C(=O)C[C@H](NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)N[C@H]1CN(OCc2ccccc2)C1=O
Show InChI InChI=1S/C28H43N5O6/c1-27(2,3)15-21(34)31-23(28(4,5)6)25(37)29-19(14-22(35)32(7)8)24(36)30-20-16-33(26(20)38)39-17-18-12-10-9-11-13-18/h9-13,19-20,23H,14-17H2,1-8H3,(H,29,37)(H,30,36)(H,31,34)/t19-,20-,23+/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease human liver Cathepsin B (cat-B )


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50061503
PNG
((S)-N*1*-(2-Benzylcarbamoyl-1-methyl-2-oxo-ethyl)-...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C29H45N5O6/c1-18(23(37)26(39)30-17-19-13-11-10-12-14-19)31-25(38)20(15-22(36)34(8)9)32-27(40)24(29(5,6)7)33-21(35)16-28(2,3)4/h10-14,18,20,24H,15-17H2,1-9H3,(H,30,39)(H,31,38)(H,32,40)(H,33,35)/t18?,20-,24+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease human liver Cathepsin B (cat-B )


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061528
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccc(C)cc2o1
Show InChI InChI=1S/C29H43N5O6/c1-16-11-12-18-20(13-16)40-27(32-18)23(37)17(2)30-25(38)19(14-22(36)34(9)10)31-26(39)24(29(6,7)8)33-21(35)15-28(3,4)5/h11-13,17,19,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,33,35)/t17?,19-,24+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase(HLE) serine protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50061516
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)P(=O)C(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C33H49N4O7P/c1-22(45(42)31(43-23-16-12-10-13-17-23)44-24-18-14-11-15-19-24)34-29(40)25(20-27(39)37(8)9)35-30(41)28(33(5,6)7)36-26(38)21-32(2,3)4/h10-19,22,25,28,31,45H,20-21H2,1-9H3,(H,34,40)(H,35,41)(H,36,38)/t22?,25-,28+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease human liver Cathepsin B (cat-B )


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061504
PNG
((S)-N*1*-((S)-1-Benzyloxy-2-oxo-azetidin-3-yl)-2-[...)
Show SMILES CN(C)C(=O)C[C@H](NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)N[C@H]1CN(OCc2ccccc2)C1=O
Show InChI InChI=1S/C28H43N5O6/c1-27(2,3)15-21(34)31-23(28(4,5)6)25(37)29-19(14-22(35)32(7)8)24(36)30-20-16-33(26(20)38)39-17-18-12-10-9-11-13-18/h9-13,19-20,23H,14-17H2,1-8H3,(H,29,37)(H,30,36)(H,31,34)/t19-,20-,23+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase(HLE) serine protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50061516
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)P(=O)C(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C33H49N4O7P/c1-22(45(42)31(43-23-16-12-10-13-17-23)44-24-18-14-11-15-19-24)34-29(40)25(20-27(39)37(8)9)35-30(41)28(33(5,6)7)36-26(38)21-32(2,3)4/h10-19,22,25,28,31,45H,20-21H2,1-9H3,(H,34,40)(H,35,41)(H,36,38)/t22?,25-,28+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease porcine pancreatic elastase (PPE)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061519
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(=O)N(C)C
Show InChI InChI=1S/C24H43N5O6/c1-14(18(32)22(35)29(10)11)25-20(33)15(12-17(31)28(8)9)26-21(34)19(24(5,6)7)27-16(30)13-23(2,3)4/h14-15,19H,12-13H2,1-11H3,(H,25,33)(H,26,34)(H,27,30)/t14?,15-,19+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061499
PNG
((S)-2-Acetylamino-N*1*-(3,3,3-trifluoro-1-methyl-2...)
Show SMILES CC(NC(=O)[C@H](CC(N)=O)NC(C)=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C10H14F3N3O4/c1-4(8(19)10(11,12)13)15-9(20)6(3-7(14)18)16-5(2)17/h4,6H,3H2,1-2H3,(H2,14,18)(H,15,20)(H,16,17)/t4?,6-/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50061512
PNG
((S)-N*1*-(2-Benzooxazol-2-yl-1-methyl-2-oxo-ethyl)...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C28H41N5O6/c1-16(22(36)26-31-17-12-10-11-13-19(17)39-26)29-24(37)18(14-21(35)33(8)9)30-25(38)23(28(5,6)7)32-20(34)15-27(2,3)4/h10-13,16,18,23H,14-15H2,1-9H3,(H,29,37)(H,30,38)(H,32,34)/t16?,18-,23+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease human liver Cathepsin B (cat-B )


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061516
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)P(=O)C(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C33H49N4O7P/c1-22(45(42)31(43-23-16-12-10-13-17-23)44-24-18-14-11-15-19-24)34-29(40)25(20-27(39)37(8)9)35-30(41)28(33(5,6)7)36-26(38)21-32(2,3)4/h10-19,22,25,28,31,45H,20-21H2,1-9H3,(H,34,40)(H,35,41)(H,36,38)/t22?,25-,28+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity of compound against serine protease human leukocyte elastase(HLE)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061527
PNG
((S)-2-Acetylamino-3-methyl-N-{(S)-2-methyl-1-[(R)-...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)NC(C)C(=O)C(F)(F)F
Show InChI InChI=1S/C19H31F3N4O5/c1-8(2)13(25-12(7)27)18(31)26-14(9(3)4)17(30)24-11(6)16(29)23-10(5)15(28)19(20,21)22/h8-11,13-14H,1-7H3,(H,23,29)(H,24,30)(H,25,27)(H,26,31)/t10?,11-,13+,14+/m1/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50061530
PNG
((S)-N*1*-((S)-3-Benzylcarbamoyl-3,3-difluoro-1-met...)
Show SMILES C[C@H](NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(F)(F)C(=O)NCc1ccccc1
Show InChI InChI=1S/C30H45F2N5O6/c1-18(24(40)30(31,32)27(43)33-17-19-13-11-10-12-14-19)34-25(41)20(15-22(39)37(8)9)35-26(42)23(29(5,6)7)36-21(38)16-28(2,3)4/h10-14,18,20,23H,15-17H2,1-9H3,(H,33,43)(H,34,41)(H,35,42)(H,36,38)/t18-,20-,23+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease human liver Cathepsin B (cat-B )


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50061516
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)P(=O)C(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C33H49N4O7P/c1-22(45(42)31(43-23-16-12-10-13-17-23)44-24-18-14-11-15-19-24)34-29(40)25(20-27(39)37(8)9)35-30(41)28(33(5,6)7)36-26(38)21-32(2,3)4/h10-19,22,25,28,31,45H,20-21H2,1-9H3,(H,34,40)(H,35,41)(H,36,38)/t22?,25-,28+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease bovine pancreatic Alpha-Chymotrypsinogen (BPC)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50061503
PNG
((S)-N*1*-(2-Benzylcarbamoyl-1-methyl-2-oxo-ethyl)-...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C29H45N5O6/c1-18(23(37)26(39)30-17-19-13-11-10-12-14-19)31-25(38)20(15-22(36)34(8)9)32-27(40)24(29(5,6)7)33-21(35)16-28(2,3)4/h10-14,18,20,24H,15-17H2,1-9H3,(H,30,39)(H,31,38)(H,32,40)(H,33,35)/t18?,20-,24+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease bovine pancreatic Alpha-Chymotrypsinogen (BPC)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061500
PNG
((S)-2-((S)-2-(3,3-dimethylbutanamido)-3,3-dimethyl...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ncccc2o1
Show InChI InChI=1S/C27H40N6O6/c1-15(20(36)25-32-22-17(39-25)11-10-12-28-22)29-23(37)16(13-19(35)33(8)9)30-24(38)21(27(5,6)7)31-18(34)14-26(2,3)4/h10-12,15-16,21H,13-14H2,1-9H3,(H,29,37)(H,30,38)(H,31,34)/t15?,16-,21+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase(HLE) serine protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50061500
PNG
((S)-2-((S)-2-(3,3-dimethylbutanamido)-3,3-dimethyl...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ncccc2o1
Show InChI InChI=1S/C27H40N6O6/c1-15(20(36)25-32-22-17(39-25)11-10-12-28-22)29-23(37)16(13-19(35)33(8)9)30-24(38)21(27(5,6)7)31-18(34)14-26(2,3)4/h10-12,15-16,21H,13-14H2,1-9H3,(H,29,37)(H,30,38)(H,31,34)/t15?,16-,21+/m0/s1
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Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease porcine pancreatic elastase (PPE)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50061509
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C29H43N5O6/c1-16-11-12-20-18(13-16)32-27(40-20)23(37)17(2)30-25(38)19(14-22(36)34(9)10)31-26(39)24(29(6,7)8)33-21(35)15-28(3,4)5/h11-13,17,19,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,33,35)/t17?,19-,24+/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease bovine pancreatic Alpha-Chymotrypsinogen (BPC)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061498
PNG
((S)-2-((S)-2-(3,3-dimethylbutanamido)-3,3-dimethyl...)
Show SMILES C[C@H](NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H37F3N4O5/c1-12(17(32)22(23,24)25)26-18(33)13(10-15(31)29(8)9)27-19(34)16(21(5,6)7)28-14(30)11-20(2,3)4/h12-13,16H,10-11H2,1-9H3,(H,26,33)(H,27,34)(H,28,30)/t12-,13-,16+/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase(HLE) serine protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50061518
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C23H37F5N4O5/c1-12(17(35)22(24,25)23(26,27)28)29-18(36)13(10-15(34)32(8)9)30-19(37)16(21(5,6)7)31-14(33)11-20(2,3)4/h12-13,16H,10-11H2,1-9H3,(H,29,36)(H,30,37)(H,31,33)/t12?,13-,16+/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease human liver Cathepsin B (cat-B )


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50061509
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C29H43N5O6/c1-16-11-12-20-18(13-16)32-27(40-20)23(37)17(2)30-25(38)19(14-22(36)34(9)10)31-26(39)24(29(6,7)8)33-21(35)15-28(3,4)5/h11-13,17,19,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,33,35)/t17?,19-,24+/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease human liver Cathepsin B (cat-B )


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50061512
PNG
((S)-N*1*-(2-Benzooxazol-2-yl-1-methyl-2-oxo-ethyl)...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C28H41N5O6/c1-16(22(36)26-31-17-12-10-11-13-19(17)39-26)29-24(37)18(14-21(35)33(8)9)30-25(38)23(28(5,6)7)32-20(34)15-27(2,3)4/h10-13,16,18,23H,14-15H2,1-9H3,(H,29,37)(H,30,38)(H,32,34)/t16?,18-,23+/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease bovine pancreatic Alpha-Chymotrypsinogen (BPC)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50061498
PNG
((S)-2-((S)-2-(3,3-dimethylbutanamido)-3,3-dimethyl...)
Show SMILES C[C@H](NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H37F3N4O5/c1-12(17(32)22(23,24)25)26-18(33)13(10-15(31)29(8)9)27-19(34)16(21(5,6)7)28-14(30)11-20(2,3)4/h12-13,16H,10-11H2,1-9H3,(H,26,33)(H,27,34)(H,28,30)/t12-,13-,16+/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease human liver Cathepsin B (cat-B )


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50061504
PNG
((S)-N*1*-((S)-1-Benzyloxy-2-oxo-azetidin-3-yl)-2-[...)
Show SMILES CN(C)C(=O)C[C@H](NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)N[C@H]1CN(OCc2ccccc2)C1=O
Show InChI InChI=1S/C28H43N5O6/c1-27(2,3)15-21(34)31-23(28(4,5)6)25(37)29-19(14-22(35)32(7)8)24(36)30-20-16-33(26(20)38)39-17-18-12-10-9-11-13-18/h9-13,19-20,23H,14-17H2,1-8H3,(H,29,37)(H,30,36)(H,31,34)/t19-,20-,23+/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease porcine pancreatic elastase (PPE)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50061510
PNG
((S)-N*1*-(2-Benzothiazol-2-yl-1-methyl-2-oxo-ethyl...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H41N5O5S/c1-16(22(36)26-31-17-12-10-11-13-19(17)39-26)29-24(37)18(14-21(35)33(8)9)30-25(38)23(28(5,6)7)32-20(34)15-27(2,3)4/h10-13,16,18,23H,14-15H2,1-9H3,(H,29,37)(H,30,38)(H,32,34)/t16?,18-,23+/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease bovine pancreatic Alpha-Chymotrypsinogen (BPC)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50061528
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccc(C)cc2o1
Show InChI InChI=1S/C29H43N5O6/c1-16-11-12-18-20(13-16)40-27(32-18)23(37)17(2)30-25(38)19(14-22(36)34(9)10)31-26(39)24(29(6,7)8)33-21(35)15-28(3,4)5/h11-13,17,19,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,33,35)/t17?,19-,24+/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease bovine pancreatic Alpha-Chymotrypsinogen (BPC)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%