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4 similar compounds to monomer 50068909

Compile data set for download or QSAR
Wt: 662.6
BDBM50068899
Wt: 690.7
BDBM50068901
Wt: 698.7
BDBM50068889
Wt: 600.6
BDBM50068892

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50068899,50068901,50068889,50068892   
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))
BDBM50068901
PNG
(3-[2,2-Difluoro-4-({(S)-1-[(S)-3-methyl-2-(3-pheny...)
Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)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/C37H40F2N4O7/c1-23(2)31(42-30(44)19-18-24-11-5-3-6-12-24)34(47)43-20-10-17-29(43)33(46)41-28(21-25-13-7-4-8-14-25)32(45)37(38,39)36(50)40-27-16-9-15-26(22-27)35(48)49/h3-9,11-16,22-23,28-29,31H,10,17-21H2,1-2H3,(H,40,50)(H,41,46)(H,42,44)(H,48,49)/t28?,29-,31-/m0/s1
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1.30n/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))
BDBM50068899
PNG
(3-(4-{[(S)-1-((S)-2-Benzoylamino-3-methyl-butyryl)...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccc1)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/C35H36F2N4O7/c1-21(2)28(40-30(43)23-13-7-4-8-14-23)32(45)41-18-10-17-27(41)31(44)39-26(19-22-11-5-3-6-12-22)29(42)35(36,37)34(48)38-25-16-9-15-24(20-25)33(46)47/h3-9,11-16,20-21,26-28H,10,17-19H2,1-2H3,(H,38,48)(H,39,44)(H,40,43)(H,46,47)/t26?,27-,28-/m0/s1
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3.10n/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))
BDBM50068889
PNG
(3-(4-{[(S)-1-((S)-2-Benzenesulfonylamino-3-methyl-...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccccc1)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/C34H36F2N4O8S/c1-21(2)28(39-49(47,48)25-15-7-4-8-16-25)31(43)40-18-10-17-27(40)30(42)38-26(19-22-11-5-3-6-12-22)29(41)34(35,36)33(46)37-24-14-9-13-23(20-24)32(44)45/h3-9,11-16,20-21,26-28,39H,10,17-19H2,1-2H3,(H,37,46)(H,38,42)(H,44,45)/t26?,27-,28-/m0/s1
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6.30n/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))
BDBM50068892
PNG
(3-(4-{[(S)-1-((S)-2-Acetylamino-3-methyl-butyryl)-...)
Show SMILES CC(C)[C@H](NC(C)=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/C30H34F2N4O7/c1-17(2)24(33-18(3)37)27(40)36-14-8-13-23(36)26(39)35-22(15-19-9-5-4-6-10-19)25(38)30(31,32)29(43)34-21-12-7-11-20(16-21)28(41)42/h4-7,9-12,16-17,22-24H,8,13-15H2,1-3H3,(H,33,37)(H,34,43)(H,35,39)(H,41,42)/t22?,23-,24-/m0/s1
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7.10n/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))
BDBM50068892
PNG
(3-(4-{[(S)-1-((S)-2-Acetylamino-3-methyl-butyryl)-...)
Show SMILES CC(C)[C@H](NC(C)=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/C30H34F2N4O7/c1-17(2)24(33-18(3)37)27(40)36-14-8-13-23(36)26(39)35-22(15-19-9-5-4-6-10-19)25(38)30(31,32)29(43)34-21-12-7-11-20(16-21)28(41)42/h4-7,9-12,16-17,22-24H,8,13-15H2,1-3H3,(H,33,37)(H,34,43)(H,35,39)(H,41,42)/t22?,23-,24-/m0/s1
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11n/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))
BDBM50068901
PNG
(3-[2,2-Difluoro-4-({(S)-1-[(S)-3-methyl-2-(3-pheny...)
Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)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/C37H40F2N4O7/c1-23(2)31(42-30(44)19-18-24-11-5-3-6-12-24)34(47)43-20-10-17-29(43)33(46)41-28(21-25-13-7-4-8-14-25)32(45)37(38,39)36(50)40-27-16-9-15-26(22-27)35(48)49/h3-9,11-16,22-23,28-29,31H,10,17-21H2,1-2H3,(H,40,50)(H,41,46)(H,42,44)(H,48,49)/t28?,29-,31-/m0/s1
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19n/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))
BDBM50068899
PNG
(3-(4-{[(S)-1-((S)-2-Benzoylamino-3-methyl-butyryl)...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccc1)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/C35H36F2N4O7/c1-21(2)28(40-30(43)23-13-7-4-8-14-23)32(45)41-18-10-17-27(41)31(44)39-26(19-22-11-5-3-6-12-22)29(42)35(36,37)34(48)38-25-16-9-15-24(20-25)33(46)47/h3-9,11-16,20-21,26-28H,10,17-19H2,1-2H3,(H,38,48)(H,39,44)(H,40,43)(H,46,47)/t26?,27-,28-/m0/s1
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275n/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))
BDBM50068889
PNG
(3-(4-{[(S)-1-((S)-2-Benzenesulfonylamino-3-methyl-...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccccc1)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/C34H36F2N4O8S/c1-21(2)28(39-49(47,48)25-15-7-4-8-16-25)31(43)40-18-10-17-27(40)30(42)38-26(19-22-11-5-3-6-12-22)29(41)34(35,36)33(46)37-24-14-9-13-23(20-24)32(44)45/h3-9,11-16,20-21,26-28,39H,10,17-19H2,1-2H3,(H,37,46)(H,38,42)(H,44,45)/t26?,27-,28-/m0/s1
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554n/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