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17 similar compounds to monomer 50068908

Compile data set for download or QSAR
Wt: 610.6
BDBM50068896
Wt: 642.7
BDBM50068897
Wt: 658.6
BDBM50068902
Wt: 596.6
BDBM50068903
Wt: 610.6
BDBM50068904
Wt: 610.6
BDBM50068906
Wt: 658.6
BDBM50068911
Wt: 738.7
BDBM50068912
Wt: 687.6
BDBM50068913
Wt: 702.6
BDBM50068915
Wt: 674.6
BDBM50068916
Wt: 688.6
BDBM50068919
Wt: 624.6
BDBM50068885
Wt: 658.6
BDBM50068887
Wt: 628.7
BDBM50068888
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 50068896,50068897,50068902,50068903,50068904,50068906,50068911,50068912,50068913,50068915,50068916,50068919,50068885,50068887,50068888   
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))
BDBM50068919
PNG
(3-(4-{[(S)-1-(2-tert-Butoxycarbonylamino-4-carboxy...)
Show SMILES CC(C)(C)OC(=O)NC(CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C33H38F2N4O10/c1-32(2,3)49-31(48)38-22(14-15-25(40)41)28(44)39-16-8-13-24(39)27(43)37-23(17-19-9-5-4-6-10-19)26(42)33(34,35)30(47)36-21-12-7-11-20(18-21)29(45)46/h4-7,9-12,18,22-24H,8,13-17H2,1-3H3,(H,36,47)(H,37,43)(H,38,48)(H,40,41)(H,45,46)/t22?,23?,24-/m0/s1
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3.90n/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: 919-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00132-2
BindingDB Entry DOI: 10.7270/Q2BZ656D
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50068911
PNG
(3-(4-{[(S)-1-(2-tert-Butoxycarbonylamino-3-methyl-...)
Show SMILES CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C33H40F2N4O8/c1-19(2)25(38-31(46)47-32(3,4)5)28(42)39-16-10-15-24(39)27(41)37-23(17-20-11-7-6-8-12-20)26(40)33(34,35)30(45)36-22-14-9-13-21(18-22)29(43)44/h6-9,11-14,18-19,23-25H,10,15-17H2,1-5H3,(H,36,45)(H,37,41)(H,38,46)(H,43,44)/t23?,24-,25?/m0/s1
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5.60n/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: 919-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00132-2
BindingDB Entry DOI: 10.7270/Q2BZ656D
More data for this
Ligand-Target Pair
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))
BDBM50068915
PNG
(5-{(S)-2-[1-Benzyl-3-(3-carboxymethyl-phenylcarbam...)
Show SMILES CC(C)(C)OC(=O)NC(CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(CC(O)=O)c1
Show InChI InChI=1S/C34H40F2N4O10/c1-33(2,3)50-32(49)39-23(14-15-26(41)42)30(47)40-16-8-13-25(40)29(46)38-24(18-20-9-5-4-6-10-20)28(45)34(35,36)31(48)37-22-12-7-11-21(17-22)19-27(43)44/h4-7,9-12,17,23-25H,8,13-16,18-19H2,1-3H3,(H,37,48)(H,38,46)(H,39,49)(H,41,42)(H,43,44)/t23?,24?,25-/m0/s1
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6.70n/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: 919-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00132-2
BindingDB Entry DOI: 10.7270/Q2BZ656D
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50068887
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)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C33H40F2N4O8/c1-19(2)25(38-31(46)47-32(3,4)5)28(42)39-17-9-12-24(39)27(41)37-23(18-20-10-7-6-8-11-20)26(40)33(34,35)30(45)36-22-15-13-21(14-16-22)29(43)44/h6-8,10-11,13-16,19,23-25H,9,12,17-18H2,1-5H3,(H,36,45)(H,37,41)(H,38,46)(H,43,44)/t23?,24-,25-/m0/s1
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6.80n/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))
BDBM50068888
PNG
(CHEMBL170074 | {(S)-1-[(S)-2-(1-Benzyl-3-benzylcar...)
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)NCc1ccccc1
Show InChI InChI=1S/C33H42F2N4O6/c1-21(2)26(38-31(44)45-32(3,4)5)29(42)39-18-12-17-25(39)28(41)37-24(19-22-13-8-6-9-14-22)27(40)33(34,35)30(43)36-20-23-15-10-7-11-16-23/h6-11,13-16,21,24-26H,12,17-20H2,1-5H3,(H,36,43)(H,37,41)(H,38,44)/t24?,25-,26-/m0/s1
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7.40n/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))
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))
BDBM50068912
PNG
(3-(4-{[(S)-1-(2-tert-Butoxycarbonylamino-4-carboxy...)
Show SMILES CC(C)(C)OC(=O)NC(CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cc(C(O)=O)c2ccccc2c1
Show InChI InChI=1S/C37H40F2N4O10/c1-36(2,3)53-35(52)42-26(15-16-29(44)45)32(48)43-17-9-14-28(43)31(47)41-27(18-21-10-5-4-6-11-21)30(46)37(38,39)34(51)40-23-19-22-12-7-8-13-24(22)25(20-23)33(49)50/h4-8,10-13,19-20,26-28H,9,14-18H2,1-3H3,(H,40,51)(H,41,47)(H,42,52)(H,44,45)(H,49,50)/t26?,27?,28-/m0/s1
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14n/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: 919-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00132-2
BindingDB Entry DOI: 10.7270/Q2BZ656D
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))
BDBM50068913
PNG
(5-{(S)-2-[1-Benzyl-3-(3-carbamoyl-phenylcarbamoyl)...)
Show SMILES CC(C)(C)OC(=O)NC(CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C33H39F2N5O9/c1-32(2,3)49-31(48)39-22(14-15-25(41)42)29(46)40-16-8-13-24(40)28(45)38-23(17-19-9-5-4-6-10-19)26(43)33(34,35)30(47)37-21-12-7-11-20(18-21)27(36)44/h4-7,9-12,18,22-24H,8,13-17H2,1-3H3,(H2,36,44)(H,37,47)(H,38,45)(H,39,48)(H,41,42)/t22?,23?,24-/m0/s1
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21n/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: 919-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00132-2
BindingDB Entry DOI: 10.7270/Q2BZ656D
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))
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))
BDBM50068916
PNG
(3-(4-{[(S)-1-(2-tert-Butoxycarbonylamino-3-carboxy...)
Show SMILES CC(C)(C)OC(=O)NC(CC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C32H36F2N4O10/c1-31(2,3)48-30(47)37-22(17-24(39)40)27(43)38-14-8-13-23(38)26(42)36-21(15-18-9-5-4-6-10-18)25(41)32(33,34)29(46)35-20-12-7-11-19(16-20)28(44)45/h4-7,9-12,16,21-23H,8,13-15,17H2,1-3H3,(H,35,46)(H,36,42)(H,37,47)(H,39,40)(H,44,45)/t21?,22?,23-/m0/s1
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37n/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: 919-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00132-2
BindingDB Entry DOI: 10.7270/Q2BZ656D
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
Chymase


(Homo sapiens (Human))
BDBM50068888
PNG
(CHEMBL170074 | {(S)-1-[(S)-2-(1-Benzyl-3-benzylcar...)
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)NCc1ccccc1
Show InChI InChI=1S/C33H42F2N4O6/c1-21(2)26(38-31(44)45-32(3,4)5)29(42)39-18-12-17-25(39)28(41)37-24(19-22-13-8-6-9-14-22)27(40)33(34,35)30(43)36-20-23-15-10-7-11-16-23/h6-11,13-16,21,24-26H,12,17-20H2,1-5H3,(H,36,43)(H,37,41)(H,38,44)/t24?,25-,26-/m0/s1
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92n/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))
BDBM50068888
PNG
(CHEMBL170074 | {(S)-1-[(S)-2-(1-Benzyl-3-benzylcar...)
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)NCc1ccccc1
Show InChI InChI=1S/C33H42F2N4O6/c1-21(2)26(38-31(44)45-32(3,4)5)29(42)39-18-12-17-25(39)28(41)37-24(19-22-13-8-6-9-14-22)27(40)33(34,35)30(43)36-20-23-15-10-7-11-16-23/h6-11,13-16,21,24-26H,12,17-20H2,1-5H3,(H,36,43)(H,37,41)(H,38,44)/t24?,25-,26-/m0/s1
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172n/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))
BDBM50068887
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)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C33H40F2N4O8/c1-19(2)25(38-31(46)47-32(3,4)5)28(42)39-17-9-12-24(39)27(41)37-23(18-20-10-7-6-8-11-20)26(40)33(34,35)30(45)36-22-15-13-21(14-16-22)29(43)44/h6-8,10-11,13-16,19,23-25H,9,12,17-18H2,1-5H3,(H,36,45)(H,37,41)(H,38,46)(H,43,44)/t23?,24-,25-/m0/s1
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200n/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
Chymotrypsin


(Homo sapiens (Human))
BDBM50068911
PNG
(3-(4-{[(S)-1-(2-tert-Butoxycarbonylamino-3-methyl-...)
Show SMILES CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C33H40F2N4O8/c1-19(2)25(38-31(46)47-32(3,4)5)28(42)39-16-10-15-24(39)27(41)37-23(17-20-11-7-6-8-12-20)26(40)33(34,35)30(45)36-22-14-9-13-21(18-22)29(43)44/h6-9,11-14,18-19,23-25H,10,15-17H2,1-5H3,(H,36,45)(H,37,41)(H,38,46)(H,43,44)/t23?,24-,25?/m0/s1
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364n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Bovine Chymotrypsinogen


Bioorg Med Chem Lett 8: 919-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00132-2
BindingDB Entry DOI: 10.7270/Q2BZ656D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50068913
PNG
(5-{(S)-2-[1-Benzyl-3-(3-carbamoyl-phenylcarbamoyl)...)
Show SMILES CC(C)(C)OC(=O)NC(CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C33H39F2N5O9/c1-32(2,3)49-31(48)39-22(14-15-25(41)42)29(46)40-16-8-13-24(40)28(45)38-23(17-19-9-5-4-6-10-19)26(43)33(34,35)30(47)37-21-12-7-11-20(18-21)27(36)44/h4-7,9-12,18,22-24H,8,13-17H2,1-3H3,(H2,36,44)(H,37,47)(H,38,45)(H,39,48)(H,41,42)/t22?,23?,24-/m0/s1
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1.22E+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 Bovine Chymotrypsinogen


Bioorg Med Chem Lett 8: 919-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00132-2
BindingDB Entry DOI: 10.7270/Q2BZ656D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50068919
PNG
(3-(4-{[(S)-1-(2-tert-Butoxycarbonylamino-4-carboxy...)
Show SMILES CC(C)(C)OC(=O)NC(CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C33H38F2N4O10/c1-32(2,3)49-31(48)38-22(14-15-25(40)41)28(44)39-16-8-13-24(39)27(43)37-23(17-19-9-5-4-6-10-19)26(42)33(34,35)30(47)36-21-12-7-11-20(18-21)29(45)46/h4-7,9-12,18,22-24H,8,13-17H2,1-3H3,(H,36,47)(H,37,43)(H,38,48)(H,40,41)(H,45,46)/t22?,23?,24-/m0/s1
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1.30E+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 Bovine Chymotrypsinogen


Bioorg Med Chem Lett 8: 919-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00132-2
BindingDB Entry DOI: 10.7270/Q2BZ656D
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
Chymase


(Homo sapiens (Human))
BDBM50068902
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)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C33H40F2N4O8/c1-19(2)25(38-31(46)47-32(3,4)5)28(42)39-17-11-16-24(39)27(41)36-23(18-20-12-7-6-8-13-20)26(40)33(34,35)30(45)37-22-15-10-9-14-21(22)29(43)44/h6-10,12-15,19,23-25H,11,16-18H2,1-5H3,(H,36,41)(H,37,45)(H,38,46)(H,43,44)/t23?,24-,25-/m0/s1
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3.62E+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 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
Chymotrypsin


(Homo sapiens (Human))
BDBM50068915
PNG
(5-{(S)-2-[1-Benzyl-3-(3-carboxymethyl-phenylcarbam...)
Show SMILES CC(C)(C)OC(=O)NC(CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(CC(O)=O)c1
Show InChI InChI=1S/C34H40F2N4O10/c1-33(2,3)50-32(49)39-23(14-15-26(41)42)30(47)40-16-8-13-25(40)29(46)38-24(18-20-9-5-4-6-10-20)28(45)34(35,36)31(48)37-22-12-7-11-21(17-22)19-27(43)44/h4-7,9-12,17,23-25H,8,13-16,18-19H2,1-3H3,(H,37,48)(H,38,46)(H,39,49)(H,41,42)(H,43,44)/t23?,24?,25-/m0/s1
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3.95E+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 Bovine Chymotrypsinogen


Bioorg Med Chem Lett 8: 919-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00132-2
BindingDB Entry DOI: 10.7270/Q2BZ656D
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))
BDBM50068888
PNG
(CHEMBL170074 | {(S)-1-[(S)-2-(1-Benzyl-3-benzylcar...)
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)NCc1ccccc1
Show InChI InChI=1S/C33H42F2N4O6/c1-21(2)26(38-31(44)45-32(3,4)5)29(42)39-18-12-17-25(39)28(41)37-24(19-22-13-8-6-9-14-22)27(40)33(34,35)30(43)36-20-23-15-10-7-11-16-23/h6-11,13-16,21,24-26H,12,17-20H2,1-5H3,(H,36,43)(H,37,41)(H,38,44)/t24?,25-,26-/m0/s1
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1.19E+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 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))
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
Chymotrypsin


(Homo sapiens (Human))
BDBM50068912
PNG
(3-(4-{[(S)-1-(2-tert-Butoxycarbonylamino-4-carboxy...)
Show SMILES CC(C)(C)OC(=O)NC(CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cc(C(O)=O)c2ccccc2c1
Show InChI InChI=1S/C37H40F2N4O10/c1-36(2,3)53-35(52)42-26(15-16-29(44)45)32(48)43-17-9-14-28(43)31(47)41-27(18-21-10-5-4-6-11-21)30(46)37(38,39)34(51)40-23-19-22-12-7-8-13-24(22)25(20-23)33(49)50/h4-8,10-13,19-20,26-28H,9,14-18H2,1-3H3,(H,40,51)(H,41,47)(H,42,52)(H,44,45)(H,49,50)/t26?,27?,28-/m0/s1
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9.29E+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 Bovine Chymotrypsinogen


Bioorg Med Chem Lett 8: 919-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00132-2
BindingDB Entry DOI: 10.7270/Q2BZ656D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50068916
PNG
(3-(4-{[(S)-1-(2-tert-Butoxycarbonylamino-3-carboxy...)
Show SMILES CC(C)(C)OC(=O)NC(CC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C32H36F2N4O10/c1-31(2,3)48-30(47)37-22(17-24(39)40)27(43)38-14-8-13-23(38)26(42)36-21(15-18-9-5-4-6-10-18)25(41)32(33,34)29(46)35-20-12-7-11-19(16-20)28(44)45/h4-7,9-12,16,21-23H,8,13-15,17H2,1-3H3,(H,35,46)(H,36,42)(H,37,47)(H,39,40)(H,44,45)/t21?,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 Bovine Chymotrypsinogen


Bioorg Med Chem Lett 8: 919-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00132-2
BindingDB Entry DOI: 10.7270/Q2BZ656D
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50068902
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)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C33H40F2N4O8/c1-19(2)25(38-31(46)47-32(3,4)5)28(42)39-17-11-16-24(39)27(41)36-23(18-20-12-7-6-8-13-20)26(40)33(34,35)30(45)37-22-15-10-9-14-21(22)29(43)44/h6-10,12-15,19,23-25H,11,16-18H2,1-5H3,(H,36,41)(H,37,45)(H,38,46)(H,43,44)/t23?,24-,25-/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