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18 similar compounds to monomer 14312

Compile data set for download or QSAR
Wt: 557.6
BDBM14314
Wt: 531.6
BDBM14315
Wt: 638.5
BDBM50187180
Wt: 597.7
BDBM50187155
Wt: 555.6
BDBM50187156
Wt: 605.6
BDBM50187157
Wt: 581.6
BDBM50187158
Wt: 637.6
BDBM50187161
Wt: 604.0
BDBM50187163
Wt: 575.6
BDBM50187164
Wt: 605.6
BDBM50187171
Wt: 605.6
BDBM50187173
Wt: 542.0
BDBM50187176
Wt: 637.6
BDBM50187178
Wt: 583.6
BDBM50187179
Displayed 1 to 15 (of 18 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 14314,14315,50187180,50187155,50187156,50187157,50187158,50187161,50187163,50187164,50187171,50187173,50187176,50187178,50187179   
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
Tryptase beta-1/beta-2


(Homo sapiens (Human))
BDBM50187163
PNG
((S)-benzyl 1-(5-(4-((3-chlorophenethyl)carbamoyl)b...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2cccc(Cl)c2)n1
Show InChI InChI=1S/C32H34ClN5O5/c33-26-10-6-9-22(19-26)16-18-35-31(40)25-14-12-23(13-15-25)20-28-37-30(38-43-28)29(39)27(11-4-5-17-34)36-32(41)42-21-24-7-2-1-3-8-24/h1-3,6-10,12-15,19,27H,4-5,11,16-18,20-21,34H2,(H,35,40)(H,36,41)/t27-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Tryptase beta-1/beta-2


(Homo sapiens (Human))
BDBM50187176
PNG
((S)-ethyl 1-(5-(4-((3-chlorophenethyl)carbamoyl)be...)
Show SMILES CCOC(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2cccc(Cl)c2)n1
Show InChI InChI=1S/C27H32ClN5O5/c1-2-37-27(36)31-22(8-3-4-14-29)24(34)25-32-23(38-33-25)17-19-9-11-20(12-10-19)26(35)30-15-13-18-6-5-7-21(28)16-18/h5-7,9-12,16,22H,2-4,8,13-15,17,29H2,1H3,(H,30,35)(H,31,36)/t22-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Tryptase beta-1/beta-2


(Homo sapiens (Human))
BDBM50187164
PNG
((S)-benzyl 1-(5-(4-((2-(thiophen-2-yl)ethyl)carbam...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2cccs2)n1
Show InChI InChI=1S/C30H33N5O5S/c31-16-5-4-10-25(33-30(38)39-20-22-7-2-1-3-8-22)27(36)28-34-26(40-35-28)19-21-11-13-23(14-12-21)29(37)32-17-15-24-9-6-18-41-24/h1-3,6-9,11-14,18,25H,4-5,10,15-17,19-20,31H2,(H,32,37)(H,33,38)/t25-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Tryptase beta-1/beta-2


(Homo sapiens (Human))
BDBM50187179
PNG
((S)-benzyl 1-(5-(4-((3-phenylpropyl)carbamoyl)benz...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCCc2ccccc2)n1
Show InChI InChI=1S/C33H37N5O5/c34-20-8-7-15-28(36-33(41)42-23-26-12-5-2-6-13-26)30(39)31-37-29(43-38-31)22-25-16-18-27(19-17-25)32(40)35-21-9-14-24-10-3-1-4-11-24/h1-6,10-13,16-19,28H,7-9,14-15,20-23,34H2,(H,35,40)(H,36,41)/t28-/m0/s1
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3n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Tryptase beta-1/beta-2


(Homo sapiens (Human))
BDBM50187157
PNG
((S)-benzyl 1-(5-(4-((3,5-difluorophenethyl)carbamo...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2cc(F)cc(F)c2)n1
Show InChI InChI=1S/C32H33F2N5O5/c33-25-16-23(17-26(34)19-25)13-15-36-31(41)24-11-9-21(10-12-24)18-28-38-30(39-44-28)29(40)27(8-4-5-14-35)37-32(42)43-20-22-6-2-1-3-7-22/h1-3,6-7,9-12,16-17,19,27H,4-5,8,13-15,18,20,35H2,(H,36,41)(H,37,42)/t27-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Tryptase beta-1/beta-2


(Homo sapiens (Human))
BDBM50187158
PNG
((S)-benzyl 1-(5-(4-((2,3-dihydro-1H-inden-2-yl)car...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C33H35N5O5/c34-17-7-6-12-28(36-33(41)42-21-23-8-2-1-3-9-23)30(39)31-37-29(43-38-31)18-22-13-15-24(16-14-22)32(40)35-27-19-25-10-4-5-11-26(25)20-27/h1-5,8-11,13-16,27-28H,6-7,12,17-21,34H2,(H,35,40)(H,36,41)/t28-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Tryptase beta-1/beta-2


(Homo sapiens (Human))
BDBM50187178
PNG
((S)-benzyl 1-(5-(4-((3-(trifluoromethyl)phenethyl)...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C33H34F3N5O5/c34-33(35,36)26-10-6-9-22(19-26)16-18-38-31(43)25-14-12-23(13-15-25)20-28-40-30(41-46-28)29(42)27(11-4-5-17-37)39-32(44)45-21-24-7-2-1-3-8-24/h1-3,6-10,12-15,19,27H,4-5,11,16-18,20-21,37H2,(H,38,43)(H,39,44)/t27-/m0/s1
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8.20n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Tryptase beta-1/beta-2


(Homo sapiens (Human))
BDBM50187171
PNG
((S)-benzyl 1-(5-(4-((naphthalen-2-ylmethyl)carbamo...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCc2ccc3ccccc3c2)n1
Show InChI InChI=1S/C35H35N5O5/c36-19-7-6-12-30(38-35(43)44-23-25-8-2-1-3-9-25)32(41)33-39-31(45-40-33)21-24-13-17-28(18-14-24)34(42)37-22-26-15-16-27-10-4-5-11-29(27)20-26/h1-5,8-11,13-18,20,30H,6-7,12,19,21-23,36H2,(H,37,42)(H,38,43)/t30-/m0/s1
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11n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Tryptase beta-1/beta-2


(Homo sapiens (Human))
BDBM50187173
PNG
((S)-benzyl 1-(5-(4-((naphthalen-1-ylmethyl)carbamo...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCc2cccc3ccccc23)n1
Show InChI InChI=1S/C35H35N5O5/c36-20-7-6-15-30(38-35(43)44-23-25-9-2-1-3-10-25)32(41)33-39-31(45-40-33)21-24-16-18-27(19-17-24)34(42)37-22-28-13-8-12-26-11-4-5-14-29(26)28/h1-5,8-14,16-19,30H,6-7,15,20-23,36H2,(H,37,42)(H,38,43)/t30-/m0/s1
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13n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Tryptase beta-1/beta-2


(Homo sapiens (Human))
BDBM50187180
PNG
((S)-benzyl 1-(5-(4-((3,4-dichlorophenethyl)carbamo...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2ccc(Cl)c(Cl)c2)n1
Show InChI InChI=1S/C32H33Cl2N5O5/c33-25-14-11-22(18-26(25)34)15-17-36-31(41)24-12-9-21(10-13-24)19-28-38-30(39-44-28)29(40)27(8-4-5-16-35)37-32(42)43-20-23-6-2-1-3-7-23/h1-3,6-7,9-14,18,27H,4-5,8,15-17,19-20,35H2,(H,36,41)(H,37,42)/t27-/m0/s1
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16n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM14314
PNG
(CRA25 | prop-2-en-1-yl N-[(2S)-1-(5-{[4-(2,3-dihyd...)
Show SMILES C=CCOC(=O)N[C@@H](CCC1CCNC1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C31H35N5O5/c1-2-15-40-31(39)34-26(12-9-21-13-14-32-19-21)28(37)29-35-27(41-36-29)16-20-7-10-22(11-8-20)30(38)33-25-17-23-5-3-4-6-24(23)18-25/h2-8,10-11,21,25-26,32H,1,9,12-19H2,(H,33,38)(H,34,39)/t21?,26-/m0/s1
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25n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q2W09450
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tryptase beta-1/beta-2


(Homo sapiens (Human))
BDBM50187156
PNG
((S)-benzyl 1-(5-(4-(benzylcarbamoyl)benzyl)-1,2,4-...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCc2ccccc2)n1
Show InChI InChI=1S/C31H33N5O5/c32-18-8-7-13-26(34-31(39)40-21-24-11-5-2-6-12-24)28(37)29-35-27(41-36-29)19-22-14-16-25(17-15-22)30(38)33-20-23-9-3-1-4-10-23/h1-6,9-12,14-17,26H,7-8,13,18-21,32H2,(H,33,38)(H,34,39)/t26-/m0/s1
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37n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Tryptase beta-1/beta-2


(Homo sapiens (Human))
BDBM50187155
PNG
((S)-benzyl 1-(5-(4-((4-phenylbutyl)carbamoyl)benzy...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCCCc2ccccc2)n1
Show InChI InChI=1S/C34H39N5O5/c35-21-9-7-16-29(37-34(42)43-24-27-14-5-2-6-15-27)31(40)32-38-30(44-39-32)23-26-17-19-28(20-18-26)33(41)36-22-10-8-13-25-11-3-1-4-12-25/h1-6,11-12,14-15,17-20,29H,7-10,13,16,21-24,35H2,(H,36,41)(H,37,42)/t29-/m0/s1
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60n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM14315
PNG
(CRA26 | methyl N-[(2S)-1-(5-{[4-(2,3-dihydro-1H-in...)
Show SMILES COC(=O)N[C@@H](CCC1CCNC1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C29H33N5O5/c1-38-29(37)32-24(11-8-19-12-13-30-17-19)26(35)27-33-25(39-34-27)14-18-6-9-20(10-7-18)28(36)31-23-15-21-4-2-3-5-22(21)16-23/h2-7,9-10,19,23-24,30H,8,11-17H2,1H3,(H,31,36)(H,32,37)/t19?,24-/m0/s1
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130n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q2W09450
More data for this
Ligand-Target Pair
Tryptase beta-1/beta-2


(Homo sapiens (Human))
BDBM50187161
PNG
((S)-benzyl 1-(5-(4-((4-(trifluoromethyl)phenethyl)...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C33H34F3N5O5/c34-33(35,36)26-15-11-22(12-16-26)17-19-38-31(43)25-13-9-23(10-14-25)20-28-40-30(41-46-28)29(42)27(8-4-5-18-37)39-32(44)45-21-24-6-2-1-3-7-24/h1-3,6-7,9-16,27H,4-5,8,17-21,37H2,(H,38,43)(H,39,44)/t27-/m0/s1
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220n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM14314
PNG
(CRA25 | prop-2-en-1-yl N-[(2S)-1-(5-{[4-(2,3-dihyd...)
Show SMILES C=CCOC(=O)N[C@@H](CCC1CCNC1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C31H35N5O5/c1-2-15-40-31(39)34-26(12-9-21-13-14-32-19-21)28(37)29-35-27(41-36-29)16-20-7-10-22(11-8-20)30(38)33-25-17-23-5-3-4-6-24(23)18-25/h2-8,10-11,21,25-26,32H,1,9,12-19H2,(H,33,38)(H,34,39)/t21?,26-/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q2W09450
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM14315
PNG
(CRA26 | methyl N-[(2S)-1-(5-{[4-(2,3-dihydro-1H-in...)
Show SMILES COC(=O)N[C@@H](CCC1CCNC1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C29H33N5O5/c1-38-29(37)32-24(11-8-19-12-13-30-17-19)26(35)27-33-25(39-34-27)14-18-6-9-20(10-7-18)28(36)31-23-15-21-4-2-3-5-22(21)16-23/h2-7,9-10,19,23-24,30H,8,11-17H2,1H3,(H,31,36)(H,32,37)/t19?,24-/m0/s1
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5.70E+3n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q2W09450
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50187158
PNG
((S)-benzyl 1-(5-(4-((2,3-dihydro-1H-inden-2-yl)car...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C33H35N5O5/c34-17-7-6-12-28(36-33(41)42-21-23-8-2-1-3-9-23)30(39)31-37-29(43-38-31)18-22-13-15-24(16-14-22)32(40)35-27-19-25-10-4-5-11-26(25)20-27/h1-5,8-11,13-16,27-28H,6-7,12,17-21,34H2,(H,35,40)(H,36,41)/t28-/m0/s1
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4.80E+4n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50187158
PNG
((S)-benzyl 1-(5-(4-((2,3-dihydro-1H-inden-2-yl)car...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C33H35N5O5/c34-17-7-6-12-28(36-33(41)42-21-23-8-2-1-3-9-23)30(39)31-37-29(43-38-31)18-22-13-15-24(16-14-22)32(40)35-27-19-25-10-4-5-11-26(25)20-27/h1-5,8-11,13-16,27-28H,6-7,12,17-21,34H2,(H,35,40)(H,36,41)/t28-/m0/s1
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1.00E+5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of F10a


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50187158
PNG
((S)-benzyl 1-(5-(4-((2,3-dihydro-1H-inden-2-yl)car...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C33H35N5O5/c34-17-7-6-12-28(36-33(41)42-21-23-8-2-1-3-9-23)30(39)31-37-29(43-38-31)18-22-13-15-24(16-14-22)32(40)35-27-19-25-10-4-5-11-26(25)20-27/h1-5,8-11,13-16,27-28H,6-7,12,17-21,34H2,(H,35,40)(H,36,41)/t28-/m0/s1
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1.40E+5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of F7a


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair