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22 similar compounds to monomer 50068905

Compile data set for download or QSAR
Wt: 785.8
BDBM50004182		Wt: 743.7
BDBM50004192		Wt: 784.8
BDBM50000814		Wt: 610.6
BDBM50068896		Wt: 642.7
BDBM50068897
Wt: 668.6
BDBM50068900		Wt: 596.6
BDBM50068903		Wt: 610.6
BDBM50068904		Wt: 610.6
BDBM50068906		Wt: 654.6
BDBM50068907
Wt: 624.6
BDBM50068885		Wt: 686.7
BDBM50068886		Wt: 686.7
BDBM50068890		Wt: 552.6
BDBM50068891		Wt: 636.6
BDBM50068895
Displayed 1 to 15 (of 22 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50004182,50004192,50000814,50068896,50068897,50068900,50068903,50068904,50068906,50068907,50068885,50068886,50068890,50068891,50068895   
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
Chymase


(Homo sapiens (Human))		BDBM50068896
PNG
((4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-methy...)
Show SMILES COC(=O)CNC(=O)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C29H40F2N4O8/c1-17(2)22(34-27(41)43-28(3,4)5)25(39)35-14-10-13-20(35)24(38)33-19(15-18-11-8-7-9-12-18)23(37)29(30,31)26(40)32-16-21(36)42-6/h7-9,11-12,17,19-20,22H,10,13-16H2,1-6H3,(H,32,40)(H,33,38)(H,34,41)/t19?,20-,22-/m0/s1
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 6.5n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068903
PNG
((4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-methy...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCC(O)=O
Show InChI InChI=1S/C28H38F2N4O8/c1-16(2)21(33-26(41)42-27(3,4)5)24(39)34-13-9-12-19(34)23(38)32-18(14-17-10-7-6-8-11-17)22(37)28(29,30)25(40)31-15-20(35)36/h6-8,10-11,16,18-19,21H,9,12-15H2,1-5H3,(H,31,40)(H,32,38)(H,33,41)(H,35,36)/t18?,19-,21-/m0/s1
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 13n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068897
PNG
(CHEMBL171119 | {(S)-1-[(S)-2-(1-Benzyl-3,3-difluor...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C34H44F2N4O6/c1-22(2)27(39-32(45)46-33(3,4)5)30(43)40-20-12-17-26(40)29(42)38-25(21-24-15-10-7-11-16-24)28(41)34(35,36)31(44)37-19-18-23-13-8-6-9-14-23/h6-11,13-16,22,25-27H,12,17-21H2,1-5H3,(H,37,44)(H,38,42)(H,39,45)/t25?,26-,27-/m0/s1
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 18n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068885
PNG
(4-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-met...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCCCC(O)=O
Show InChI InChI=1S/C30H42F2N4O8/c1-18(2)23(35-28(43)44-29(3,4)5)26(41)36-16-10-13-21(36)25(40)34-20(17-19-11-7-6-8-12-19)24(39)30(31,32)27(42)33-15-9-14-22(37)38/h6-8,11-12,18,20-21,23H,9-10,13-17H2,1-5H3,(H,33,42)(H,34,40)(H,35,43)(H,37,38)/t20?,21-,23-/m0/s1
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 24n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068891
PNG
(CHEMBL170683 | {(S)-1-[(S)-2-(1-Benzyl-3,3-difluor...)
Show SMILES CNC(=O)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C27H38F2N4O6/c1-16(2)20(32-25(38)39-26(3,4)5)23(36)33-14-10-13-19(33)22(35)31-18(15-17-11-8-7-9-12-17)21(34)27(28,29)24(37)30-6/h7-9,11-12,16,18-20H,10,13-15H2,1-6H3,(H,30,37)(H,31,35)(H,32,38)/t18?,19-,20-/m0/s1
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 29n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068890
PNG
(2-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-met...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C35H44F2N4O8/c1-21(2)27(40-33(48)49-34(3,4)5)30(44)41-18-12-17-26(41)29(43)38-24(19-22-13-8-6-9-14-22)28(42)35(36,37)32(47)39-25(31(45)46)20-23-15-10-7-11-16-23/h6-11,13-16,21,24-27H,12,17-20H2,1-5H3,(H,38,43)(H,39,47)(H,40,48)(H,45,46)/t24?,25?,26-,27-/m0/s1
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 30n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068904
PNG
(3-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-met...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCCC(O)=O
Show InChI InChI=1S/C29H40F2N4O8/c1-17(2)22(34-27(42)43-28(3,4)5)25(40)35-15-9-12-20(35)24(39)33-19(16-18-10-7-6-8-11-18)23(38)29(30,31)26(41)32-14-13-21(36)37/h6-8,10-11,17,19-20,22H,9,12-16H2,1-5H3,(H,32,41)(H,33,39)(H,34,42)(H,36,37)/t19?,20-,22-/m0/s1
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 36n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068906
PNG
(2-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-met...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NC(C)C(O)=O
Show InChI InChI=1S/C29H40F2N4O8/c1-16(2)21(34-27(42)43-28(4,5)6)24(38)35-14-10-13-20(35)23(37)33-19(15-18-11-8-7-9-12-18)22(36)29(30,31)26(41)32-17(3)25(39)40/h7-9,11-12,16-17,19-21H,10,13-15H2,1-6H3,(H,32,41)(H,33,37)(H,34,42)(H,39,40)/t17?,19?,20-,21-/m0/s1
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 66n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)		BDBM50000814
PNG
(CHEMBL433088)
Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(F)(F)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C36H54F2N6O11/c1-18(2)25(31(50)43-26(19(3)4)32(51)54-10)44-33(52)36(37,38)27(46)23(16-22-14-12-11-13-15-22)41-29(48)21(6)39-28(47)20(5)40-30(49)24(17-45)42-34(53)55-35(7,8)9/h11-15,18-21,23-26,45H,16-17H2,1-10H3,(H,39,47)(H,40,49)(H,41,48)(H,42,53)(H,43,50)(H,44,52)/t20-,21-,23-,24-,25-,26-/m0/s1
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 158n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease

J Med Chem 37: 1769-78 (1994)

Checked by Author
Article DOI: 10.1021/jm00038a006
BindingDB Entry DOI: 10.7270/Q2BV7J4D
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068895
PNG
(1-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-met...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1S/C31H42F2N4O8/c1-18(2)23(35-29(44)45-30(3,4)5)26(40)36-15-9-13-21(36)25(39)34-20(17-19-11-7-6-8-12-19)24(38)31(32,33)28(43)37-16-10-14-22(37)27(41)42/h6-8,11-12,18,20-23H,9-10,13-17H2,1-5H3,(H,34,39)(H,35,44)(H,41,42)/t20?,21-,22?,23-/m0/s1
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 493n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068886
PNG
((S)-2-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C35H44F2N4O8/c1-21(2)27(40-33(48)49-34(3,4)5)30(44)41-18-12-17-26(41)29(43)38-24(19-22-13-8-6-9-14-22)28(42)35(36,37)32(47)39-25(31(45)46)20-23-15-10-7-11-16-23/h6-11,13-16,21,24-27H,12,17-20H2,1-5H3,(H,38,43)(H,39,47)(H,40,48)(H,45,46)/t24?,25-,26-,27-/m0/s1
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 513n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068900
PNG
(2-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-met...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C31H42F2N4O10/c1-17(2)23(36-29(46)47-30(3,4)5)26(42)37-15-9-12-21(37)25(41)34-20(16-18-10-7-6-8-11-18)24(40)31(32,33)28(45)35-19(27(43)44)13-14-22(38)39/h6-8,10-11,17,19-21,23H,9,12-16H2,1-5H3,(H,34,41)(H,35,45)(H,36,46)(H,38,39)(H,43,44)/t19?,20?,21-,23-/m0/s1
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 1.01E+3n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))		BDBM50068891
PNG
(CHEMBL170683 | {(S)-1-[(S)-2-(1-Benzyl-3,3-difluor...)
Show SMILES CNC(=O)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C27H38F2N4O6/c1-16(2)20(32-25(38)39-26(3,4)5)23(36)33-14-10-13-19(33)22(35)31-18(15-17-11-8-7-9-12-17)21(34)27(28,29)24(37)30-6/h7-9,11-12,16,18-20H,10,13-15H2,1-6H3,(H,30,37)(H,31,35)(H,32,38)/t18?,19-,20-/m0/s1
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 1.07E+3n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Chymotrypsinogen

Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068907
PNG
(2-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-met...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NC(CC(O)=O)C(O)=O
Show InChI InChI=1S/C30H40F2N4O10/c1-16(2)22(35-28(45)46-29(3,4)5)25(41)36-13-9-12-20(36)24(40)33-18(14-17-10-7-6-8-11-17)23(39)30(31,32)27(44)34-19(26(42)43)15-21(37)38/h6-8,10-11,16,18-20,22H,9,12-15H2,1-5H3,(H,33,40)(H,34,44)(H,35,45)(H,37,38)(H,42,43)/t18?,19?,20-,22-/m0/s1
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 1.55E+3n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))		BDBM50068890
PNG
(2-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-met...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C35H44F2N4O8/c1-21(2)27(40-33(48)49-34(3,4)5)30(44)41-18-12-17-26(41)29(43)38-24(19-22-13-8-6-9-14-22)28(42)35(36,37)32(47)39-25(31(45)46)20-23-15-10-7-11-16-23/h6-11,13-16,21,24-27H,12,17-20H2,1-5H3,(H,38,43)(H,39,47)(H,40,48)(H,45,46)/t24?,25?,26-,27-/m0/s1
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 1.70E+3n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Chymotrypsinogen

Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))		BDBM50068897
PNG
(CHEMBL171119 | {(S)-1-[(S)-2-(1-Benzyl-3,3-difluor...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C34H44F2N4O6/c1-22(2)27(39-32(45)46-33(3,4)5)30(43)40-20-12-17-26(40)29(42)38-25(21-24-15-10-7-11-16-24)28(41)34(35,36)31(44)37-19-18-23-13-8-6-9-14-23/h6-11,13-16,22,25-27H,12,17-21H2,1-5H3,(H,37,44)(H,38,42)(H,39,45)/t25?,26-,27-/m0/s1
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 2.04E+3n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Chymotrypsinogen

Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))		BDBM50068904
PNG
(3-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-met...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCCC(O)=O
Show InChI InChI=1S/C29H40F2N4O8/c1-17(2)22(34-27(42)43-28(3,4)5)25(40)35-15-9-12-20(35)24(39)33-19(16-18-10-7-6-8-11-18)23(38)29(30,31)26(41)32-14-13-21(36)37/h6-8,10-11,17,19-20,22H,9,12-16H2,1-5H3,(H,32,41)(H,33,39)(H,34,42)(H,36,37)/t19?,20-,22-/m0/s1
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 2.30E+3n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Chymotrypsinogen

Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))		BDBM50068896
PNG
((4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-methy...)
Show SMILES COC(=O)CNC(=O)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C29H40F2N4O8/c1-17(2)22(34-27(41)43-28(3,4)5)25(39)35-14-10-13-20(35)24(38)33-19(15-18-11-8-7-9-12-18)23(37)29(30,31)26(40)32-16-21(36)42-6/h7-9,11-12,17,19-20,22H,10,13-16H2,1-6H3,(H,32,40)(H,33,38)(H,34,41)/t19?,20-,22-/m0/s1
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 2.51E+3n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Chymotrypsinogen

Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))		BDBM50068903
PNG
((4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-methy...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCC(O)=O
Show InChI InChI=1S/C28H38F2N4O8/c1-16(2)21(33-26(41)42-27(3,4)5)24(39)34-13-9-12-19(34)23(38)32-18(14-17-10-7-6-8-11-17)22(37)28(29,30)25(40)31-15-20(35)36/h6-8,10-11,16,18-19,21H,9,12-15H2,1-5H3,(H,31,40)(H,32,38)(H,33,41)(H,35,36)/t18?,19-,21-/m0/s1
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 2.62E+3n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Chymotrypsinogen

Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))		BDBM50068885
PNG
(4-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-met...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCCCC(O)=O
Show InChI InChI=1S/C30H42F2N4O8/c1-18(2)23(35-28(43)44-29(3,4)5)26(41)36-16-10-13-21(36)25(40)34-20(17-19-11-7-6-8-12-19)24(39)30(31,32)27(42)33-15-9-14-22(37)38/h6-8,11-12,18,20-21,23H,9-10,13-17H2,1-5H3,(H,33,42)(H,34,40)(H,35,43)(H,37,38)/t20?,21-,23-/m0/s1
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 4.43E+3n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Chymotrypsinogen

Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))		BDBM50068906
PNG
(2-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-met...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NC(C)C(O)=O
Show InChI InChI=1S/C29H40F2N4O8/c1-16(2)21(34-27(42)43-28(4,5)6)24(38)35-14-10-13-20(35)23(37)33-19(15-18-11-8-7-9-12-18)22(36)29(30,31)26(41)32-17(3)25(39)40/h7-9,11-12,16-17,19-21H,10,13-15H2,1-6H3,(H,32,41)(H,33,37)(H,34,42)(H,39,40)/t17?,19?,20-,21-/m0/s1
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 5.49E+4n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Chymotrypsinogen

Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))		BDBM50068886
PNG
((S)-2-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C35H44F2N4O8/c1-21(2)27(40-33(48)49-34(3,4)5)30(44)41-18-12-17-26(41)29(43)38-24(19-22-13-8-6-9-14-22)28(42)35(36,37)32(47)39-25(31(45)46)20-23-15-10-7-11-16-23/h6-11,13-16,21,24-27H,12,17-20H2,1-5H3,(H,38,43)(H,39,47)(H,40,48)(H,45,46)/t24?,25-,26-,27-/m0/s1
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 7.74E+4n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Chymotrypsinogen

Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))		BDBM50068895
PNG
(1-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-met...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1S/C31H42F2N4O8/c1-18(2)23(35-29(44)45-30(3,4)5)26(40)36-15-9-13-21(36)25(39)34-20(17-19-11-7-6-8-12-19)24(38)31(32,33)28(43)37-16-10-14-22(37)27(41)42/h6-8,11-12,18,20-23H,9-10,13-17H2,1-5H3,(H,34,39)(H,35,44)(H,41,42)/t20?,21-,22?,23-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Chymotrypsinogen

Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))		BDBM50068900
PNG
(2-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-met...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C31H42F2N4O10/c1-17(2)23(36-29(46)47-30(3,4)5)26(42)37-15-9-12-21(37)25(41)34-20(16-18-10-7-6-8-11-18)24(40)31(32,33)28(45)35-19(27(43)44)13-14-22(38)39/h6-8,10-11,17,19-21,23H,9,12-16H2,1-5H3,(H,34,41)(H,35,45)(H,36,46)(H,38,39)(H,43,44)/t19?,20?,21-,23-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Chymotrypsinogen

Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))		BDBM50068907
PNG
(2-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-met...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NC(CC(O)=O)C(O)=O
Show InChI InChI=1S/C30H40F2N4O10/c1-16(2)22(35-28(45)46-29(3,4)5)25(41)36-13-9-12-20(36)24(40)33-18(14-17-10-7-6-8-11-17)23(39)30(31,32)27(44)34-19(26(42)43)15-21(37)38/h6-8,10-11,16,18-20,22H,9,12-15H2,1-5H3,(H,33,40)(H,34,44)(H,35,45)(H,37,38)(H,42,43)/t18?,19?,20-,22-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Chymotrypsinogen

Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM50004182
PNG
(2-Acetylamino-6-(4-{2-[(2-benzyloxycarbonylamino-3...)
Show SMILES COC(=O)[C@H](CCCCNC(=O)C(F)(F)C(=O)C(NC(=O)CN(C1Cc2ccccc2C1)C(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(C)C)NC(C)=O
Show InChI InChI=1S/C40H53F2N5O9/c1-24(2)33(35(50)40(41,42)38(53)43-19-13-12-18-31(37(52)55-6)44-26(5)48)45-32(49)22-47(30-20-28-16-10-11-17-29(28)21-30)36(51)34(25(3)4)46-39(54)56-23-27-14-8-7-9-15-27/h7-11,14-17,24-25,30-31,33-34H,12-13,18-23H2,1-6H3,(H,43,53)(H,44,48)(H,45,49)(H,46,54)/t31-,33?,34?/m0/s1
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n/an/a 57n/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))		BDBM50004192
PNG
(CHEMBL344981 | [2-(4-{2-[(2-Benzyloxycarbonylamino...)
Show SMILES CCOC(=O)CNC(=O)CNC(=O)C(F)(F)C(=O)C(NC(=O)CN(C1Cc2ccccc2C1)C(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C37H47F2N5O9/c1-6-52-30(47)19-40-28(45)18-41-35(50)37(38,39)33(48)31(22(2)3)42-29(46)20-44(27-16-25-14-10-11-15-26(25)17-27)34(49)32(23(4)5)43-36(51)53-21-24-12-8-7-9-13-24/h7-15,22-23,27,31-32H,6,16-21H2,1-5H3,(H,40,45)(H,41,50)(H,42,46)(H,43,51)
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n/an/a 69n/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