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Compile Data Set for Download or QSAR

Found 39 hits with Last Name = 'huang' and Initial = 'mh'   
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
Tryptase delta


(Homo sapiens (Human))
BDBM50217812
PNG
(CHEMBL322526)
Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6@@H](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-1=O)-[#6](-[#7])=O
Show InChI InChI=1S/C18H31N7O5/c1-18(2,3)30-17(29)24-9-7-23(8-10-24)16(28)25-12(13(19)26)11(14(25)27)5-4-6-22-15(20)21/h11-12H,4-10H2,1-3H3,(H2,19,26)(H4,20,21,22)/t11-,12+/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217626
PNG
(CHEMBL322538)
Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C(=O)N2CCN(CC2)C(=O)OCCc2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C22H30N6O6/c23-20(24)25-9-4-7-16-17(19(30)31)28(18(16)29)21(32)26-10-12-27(13-11-26)22(33)34-14-8-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14H2,(H,30,31)(H4,23,24,25)/t16-,17+/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217627
PNG
(CHEMBL110061)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]C([#6])([#6])[#6]
Show InChI InChI=1S/C19H33N7O5/c1-19(2,3)31-18(30)25-10-8-24(9-11-25)17(29)26-13(14(27)22-4)12(15(26)28)6-5-7-23-16(20)21/h12-13H,5-11H2,1-4H3,(H,22,27)(H4,20,21,23)/t12-,13+/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217599
PNG
(CHEMBL109888)
Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C1=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C20H22N4O5S/c21-20(22)23-12-4-7-16-17(19(26)27)24(18(16)25)30(28,29)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-3,5-6,8-11,16-17H,4,7,12H2,(H,26,27)(H4,21,22,23)/t16-,17+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217622
PNG
(CHEMBL443539)
Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C(=O)c2cccs2)C1=O)C(O)=O
Show InChI InChI=1S/C13H16N4O4S/c14-13(15)16-5-1-3-7-9(12(20)21)17(10(7)18)11(19)8-4-2-6-22-8/h2,4,6-7,9H,1,3,5H2,(H,20,21)(H4,14,15,16)/t7-,9+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217801
PNG
(CHEMBL111250)
Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C(=O)c2ccc(cc2)-c2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C21H22N4O4/c22-21(23)24-12-4-7-16-17(20(28)29)25(19(16)27)18(26)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-3,5-6,8-11,16-17H,4,7,12H2,(H,28,29)(H4,22,23,24)/t16-,17+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217817
PNG
(CHEMBL326209)
Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C(=O)N2CCN(CC2)C(=O)CCCCCc2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C25H36N6O5/c26-24(27)28-13-7-11-19-21(23(34)35)31(22(19)33)25(36)30-16-14-29(15-17-30)20(32)12-6-2-5-10-18-8-3-1-4-9-18/h1,3-4,8-9,19,21H,2,5-7,10-17H2,(H,34,35)(H4,26,27,28)/t19-,21+/m1/s1
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n/an/a<1.70n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human tryptase


Bioorg Med Chem Lett 12: 3235-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9DZP
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217822
PNG
(CHEMBL111173)
Show SMILES NC(=N)N1CCCC(C[C@@H]2[C@H](N(C(=O)N3CCN(CC3)C(=O)NCCCCc3ccccc3)C2=O)C(O)=O)C1
Show InChI InChI=1S/C27H39N7O5/c28-25(29)33-12-6-10-20(18-33)17-21-22(24(36)37)34(23(21)35)27(39)32-15-13-31(14-16-32)26(38)30-11-5-4-9-19-7-2-1-3-8-19/h1-3,7-8,20-22H,4-6,9-18H2,(H3,28,29)(H,30,38)(H,36,37)/t20?,21-,22+/m1/s1
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n/an/a<1.70n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human tryptase


Bioorg Med Chem Lett 12: 3235-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9DZP
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50120387
PNG
((2S,3R)-3-((R)-1-Carbamimidoyl-piperidin-3-ylmethy...)
Show SMILES NC(=N)N1CCC[C@H](C[C@@H]2[C@H](N(C(=O)N3CCN(CC3)C(=O)CCCCCc3ccccc3)C2=O)C(O)=O)C1
Show InChI InChI=1S/C28H40N6O5/c29-27(30)33-13-7-11-21(19-33)18-22-24(26(37)38)34(25(22)36)28(39)32-16-14-31(15-17-32)23(35)12-6-2-5-10-20-8-3-1-4-9-20/h1,3-4,8-9,21-22,24H,2,5-7,10-19H2,(H3,29,30)(H,37,38)/t21-,22-,24+/m1/s1
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n/an/a<1.70n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human tryptase


Bioorg Med Chem Lett 12: 3235-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9DZP
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217824
PNG
(BMS-363130 | CHEMBL70738)
Show SMILES [H][C@@]1(C[C@@H]2[C@H](N(C(=O)N3CCN(CC3)C(=O)CCCCCc3ccccc3)C2=O)C(O)=O)CCCN(C1)C(N)=N
Show InChI InChI=1S/C28H40N6O5/c29-27(30)33-13-7-11-21(19-33)18-22-24(26(37)38)34(25(22)36)28(39)32-16-14-31(15-17-32)23(35)12-6-2-5-10-20-8-3-1-4-9-20/h1,3-4,8-9,21-22,24H,2,5-7,10-19H2,(H3,29,30)(H,37,38)/t21-,22+,24-/m0/s1
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n/an/a<1.70n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human tryptase


Bioorg Med Chem Lett 12: 3235-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9DZP
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217823
PNG
(CHEMBL111630)
Show SMILES NC(=N)N1CCCC(C[C@@H]2[C@H](N(C(=O)N3CCN(CC3)C(=O)OCCCOc3ccccc3)C2=O)C(O)=O)C1
Show InChI InChI=1S/C26H36N6O7/c27-24(28)31-9-4-6-18(17-31)16-20-21(23(34)35)32(22(20)33)25(36)29-10-12-30(13-11-29)26(37)39-15-5-14-38-19-7-2-1-3-8-19/h1-3,7-8,18,20-21H,4-6,9-17H2,(H3,27,28)(H,34,35)/t18?,20-,21+/m1/s1
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n/an/a<1.70n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human tryptase


Bioorg Med Chem Lett 12: 3235-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9DZP
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217818
PNG
(CHEMBL440515)
Show SMILES NC(=N)N1CCCC(C[C@@H]2[C@H](N(C(=O)N3CCN(CC3)C(=O)CCCCCc3ccccc3)C2=O)C(O)=O)C1
Show InChI InChI=1S/C28H40N6O5/c29-27(30)33-13-7-11-21(19-33)18-22-24(26(37)38)34(25(22)36)28(39)32-16-14-31(15-17-32)23(35)12-6-2-5-10-20-8-3-1-4-9-20/h1,3-4,8-9,21-22,24H,2,5-7,10-19H2,(H3,29,30)(H,37,38)/t21?,22-,24+/m1/s1
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n/an/a<1.70n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human tryptase


Bioorg Med Chem Lett 12: 3235-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9DZP
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217819
PNG
(CHEMBL109504)
Show SMILES NC(=N)N1CCCC(C[C@@H]2[C@H](N(C(=O)N3CCN(CC3)C(=O)CCCCCC3CCCCC3)C2=O)C(O)=O)C1
Show InChI InChI=1S/C28H46N6O5/c29-27(30)33-13-7-11-21(19-33)18-22-24(26(37)38)34(25(22)36)28(39)32-16-14-31(15-17-32)23(35)12-6-2-5-10-20-8-3-1-4-9-20/h20-22,24H,1-19H2,(H3,29,30)(H,37,38)/t21?,22-,24+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human tryptase


Bioorg Med Chem Lett 12: 3235-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9DZP
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217628
PNG
(CHEMBL107493)
Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6@@H](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C23H39N7O5/c1-23(2,3)35-22(34)29-14-12-28(13-15-29)21(33)30-17(19(32)27-10-5-4-6-11-27)16(18(30)31)8-7-9-26-20(24)25/h16-17H,4-15H2,1-3H3,(H4,24,25,26)/t16-,17+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217813
PNG
(CHEMBL302058)
Show SMILES [#6]-[#6](-[#6])-[#6](-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6@@H](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-1=O)-[#6](-[#8])=O)-[#6](-[#6])-[#6]
Show InChI InChI=1S/C21H36N6O6/c1-12(2)16(13(3)4)33-21(32)26-10-8-25(9-11-26)20(31)27-15(18(29)30)14(17(27)28)6-5-7-24-19(22)23/h12-16H,5-11H2,1-4H3,(H,29,30)(H4,22,23,24)/t14-,15+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human tryptase


Bioorg Med Chem Lett 12: 3235-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9DZP
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217624
PNG
(CHEMBL321622)
Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6@@H](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-1=O)-[#6](-[#8])=O
Show InChI InChI=1S/C18H30N6O6/c1-18(2,3)30-17(29)23-9-7-22(8-10-23)16(28)24-12(14(26)27)11(13(24)25)5-4-6-21-15(19)20/h11-12H,4-10H2,1-3H3,(H,26,27)(H4,19,20,21)/t11-,12+/m1/s1
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The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50120368
PNG
((2S,3R)-1-(4-tert-Butylcarbamoyl-piperazine-1-carb...)
Show SMILES CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CCCNC(N)=N)C1=O)C(O)=O
Show InChI InChI=1S/C18H31N7O5/c1-18(2,3)22-16(29)23-7-9-24(10-8-23)17(30)25-12(14(27)28)11(13(25)26)5-4-6-21-15(19)20/h11-12H,4-10H2,1-3H3,(H,22,29)(H,27,28)(H4,19,20,21)/t11-,12+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50120368
PNG
((2S,3R)-1-(4-tert-Butylcarbamoyl-piperazine-1-carb...)
Show SMILES CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CCCNC(N)=N)C1=O)C(O)=O
Show InChI InChI=1S/C18H31N7O5/c1-18(2,3)22-16(29)23-7-9-24(10-8-23)17(30)25-12(14(27)28)11(13(25)26)5-4-6-21-15(19)20/h11-12H,4-10H2,1-3H3,(H,22,29)(H,27,28)(H4,19,20,21)/t11-,12+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human tryptase


Bioorg Med Chem Lett 12: 3235-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9DZP
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217820
PNG
(CHEMBL447534)
Show SMILES NC(=N)N1CCCC(C[C@@H]2[C@H](N(C(=O)N3CCN(CC3)C(=O)CCCCCc3ccccn3)C2=O)C(O)=O)C1
Show InChI InChI=1S/C27H39N7O5/c28-26(29)33-12-6-7-19(18-33)17-21-23(25(37)38)34(24(21)36)27(39)32-15-13-31(14-16-32)22(35)10-3-1-2-8-20-9-4-5-11-30-20/h4-5,9,11,19,21,23H,1-3,6-8,10,12-18H2,(H3,28,29)(H,37,38)/t19?,21-,23+/m1/s1
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n/an/a 4.60n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human tryptase


Bioorg Med Chem Lett 12: 3235-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9DZP
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217623
PNG
(CHEMBL109947)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6@@H](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-1=O)-[#6](-[#8])=O
Show InChI InChI=1S/C18H31N7O5/c1-3-22(4-2)17(29)23-8-10-24(11-9-23)18(30)25-13(15(27)28)12(14(25)26)6-5-7-21-16(19)20/h12-13H,3-11H2,1-2H3,(H,27,28)(H4,19,20,21)/t12-,13+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217805
PNG
(CHEMBL111548)
Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C(=O)N2CCN(CC2)C(=O)c2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C20H26N6O5/c21-19(22)23-8-4-7-14-15(18(29)30)26(17(14)28)20(31)25-11-9-24(10-12-25)16(27)13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,29,30)(H4,21,22,23)/t14-,15+/m1/s1
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n/an/a 5.20n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217601
PNG
(CHEMBL320744)
Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C(=O)Nc2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C15H19N5O4/c16-14(17)18-8-4-7-10-11(13(22)23)20(12(10)21)15(24)19-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,19,24)(H,22,23)(H4,16,17,18)/t10-,11+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217815
PNG
(CHEMBL113591)
Show SMILES CN(CCCCc1ccccc1)C(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CC2CCCN(C2)C(N)=N)C1=O)C(O)=O
Show InChI InChI=1S/C28H41N7O5/c1-31(12-6-5-10-20-8-3-2-4-9-20)27(39)32-14-16-33(17-15-32)28(40)35-23(25(37)38)22(24(35)36)18-21-11-7-13-34(19-21)26(29)30/h2-4,8-9,21-23H,5-7,10-19H2,1H3,(H3,29,30)(H,37,38)/t21?,22-,23+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human tryptase


Bioorg Med Chem Lett 12: 3235-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9DZP
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217601
PNG
(CHEMBL320744)
Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C(=O)Nc2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C15H19N5O4/c16-14(17)18-8-4-7-10-11(13(22)23)20(12(10)21)15(24)19-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,19,24)(H,22,23)(H4,16,17,18)/t10-,11+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217625
PNG
(CHEMBL326480)
Show SMILES [#6]C([#6])([#6])[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6@@H](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-1=O)-[#6](-[#8])=O
Show InChI InChI=1S/C18H30N6O5/c1-18(2,3)15(28)22-7-9-23(10-8-22)17(29)24-12(14(26)27)11(13(24)25)5-4-6-21-16(19)20/h11-12H,4-10H2,1-3H3,(H,26,27)(H4,19,20,21)/t11-,12+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217816
PNG
(CHEMBL432835)
Show SMILES CC(C)C(OC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CC2CCN(C2)C(N)=N)C1=O)C(O)=O)C(C)C
Show InChI InChI=1S/C23H38N6O6/c1-13(2)18(14(3)4)35-23(34)27-9-7-26(8-10-27)22(33)29-17(20(31)32)16(19(29)30)11-15-5-6-28(12-15)21(24)25/h13-18H,5-12H2,1-4H3,(H3,24,25)(H,31,32)/t15?,16-,17+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human tryptase


Bioorg Med Chem Lett 12: 3235-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9DZP
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217800
PNG
(CHEMBL109254)
Show SMILES [#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6@@H](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-1=O)-[#6](-[#8])=O
Show InChI InChI=1S/C15H24N6O6/c1-27-15(26)20-7-5-19(6-8-20)14(25)21-10(12(23)24)9(11(21)22)3-2-4-18-13(16)17/h9-10H,2-8H2,1H3,(H,23,24)(H4,16,17,18)/t9-,10+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217629
PNG
(CHEMBL111270)
Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C(=O)c2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C15H18N4O4/c16-15(17)18-8-4-7-10-11(14(22)23)19(13(10)21)12(20)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,22,23)(H4,16,17,18)/t10-,11+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217811
PNG
(CHEMBL109882)
Show SMILES [#6]C([#6])([#6])[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6@@H](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-1=O)-[#6](-[#8])=O
Show InChI InChI=1S/C19H32N6O5/c1-19(2,3)11-13(26)23-7-9-24(10-8-23)18(30)25-14(16(28)29)12(15(25)27)5-4-6-22-17(20)21/h12,14H,4-11H2,1-3H3,(H,28,29)(H4,20,21,22)/t12-,14+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217821
PNG
(CHEMBL109733)
Show SMILES CC(C)C(OC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CC2CN(C2)C(N)=N)C1=O)C(O)=O)C(C)C
Show InChI InChI=1S/C22H36N6O6/c1-12(2)17(13(3)4)34-22(33)26-7-5-25(6-8-26)21(32)28-16(19(30)31)15(18(28)29)9-14-10-27(11-14)20(23)24/h12-17H,5-11H2,1-4H3,(H3,23,24)(H,30,31)/t15-,16+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human tryptase


Bioorg Med Chem Lett 12: 3235-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9DZP
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217600
PNG
(CHEMBL109602)
Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C(=O)N2CCN(CC2)S(=O)(=O)c2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C19H26N6O6S/c20-18(21)22-8-4-7-14-15(17(27)28)25(16(14)26)19(29)23-9-11-24(12-10-23)32(30,31)13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,27,28)(H4,20,21,22)/t14-,15+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217808
PNG
(CHEMBL111141)
Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C(=O)NC2CCCCC2)C1=O)C(O)=O
Show InChI InChI=1S/C15H25N5O4/c16-14(17)18-8-4-7-10-11(13(22)23)20(12(10)21)15(24)19-9-5-2-1-3-6-9/h9-11H,1-8H2,(H,19,24)(H,22,23)(H4,16,17,18)/t10-,11+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217598
PNG
(CHEMBL320529)
Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C(=O)NCc2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C16H21N5O4/c17-15(18)19-8-4-7-11-12(14(23)24)21(13(11)22)16(25)20-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,20,25)(H,23,24)(H4,17,18,19)/t11-,12+/m1/s1
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n/an/a 71n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217814
PNG
(CHEMBL324621)
Show SMILES CC(C)C(OC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CC2CCCN(C2)C(N)=N)C1=O)C(O)=O)C(C)C
Show InChI InChI=1S/C24H40N6O6/c1-14(2)19(15(3)4)36-24(35)28-10-8-27(9-11-28)23(34)30-18(21(32)33)17(20(30)31)12-16-6-5-7-29(13-16)22(25)26/h14-19H,5-13H2,1-4H3,(H3,25,26)(H,32,33)/t16?,17-,18+/m1/s1
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n/an/a 71n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human tryptase


Bioorg Med Chem Lett 12: 3235-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9DZP
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217814
PNG
(CHEMBL324621)
Show SMILES CC(C)C(OC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CC2CCCN(C2)C(N)=N)C1=O)C(O)=O)C(C)C
Show InChI InChI=1S/C24H40N6O6/c1-14(2)19(15(3)4)36-24(35)28-10-8-27(9-11-28)23(34)30-18(21(32)33)17(20(30)31)12-16-6-5-7-29(13-16)22(25)26/h14-19H,5-13H2,1-4H3,(H3,25,26)(H,32,33)/t16?,17-,18+/m1/s1
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n/an/a 71n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human tryptase


Bioorg Med Chem Lett 12: 3235-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9DZP
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217814
PNG
(CHEMBL324621)
Show SMILES CC(C)C(OC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CC2CCCN(C2)C(N)=N)C1=O)C(O)=O)C(C)C
Show InChI InChI=1S/C24H40N6O6/c1-14(2)19(15(3)4)36-24(35)28-10-8-27(9-11-28)23(34)30-18(21(32)33)17(20(30)31)12-16-6-5-7-29(13-16)22(25)26/h14-19H,5-13H2,1-4H3,(H3,25,26)(H,32,33)/t16?,17-,18+/m1/s1
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n/an/a 204n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human tryptase


Bioorg Med Chem Lett 12: 3235-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9DZP
More data for this
Ligand-Target Pair
Tryptase delta


(Homo sapiens (Human))
BDBM50217601
PNG
(CHEMBL320744)
Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C(=O)Nc2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C15H19N5O4/c16-14(17)18-8-4-7-10-11(13(22)23)20(12(10)21)15(24)19-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,19,24)(H,22,23)(H4,16,17,18)/t10-,11+/m1/s1
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n/an/a 5.38E+3n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human tryptase.


Bioorg Med Chem Lett 12: 3229-33 (2002)


BindingDB Entry DOI: 10.7270/Q2QC05PZ
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50339127
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-25,30-d...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(CC)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r|
Show InChI InChI=1S/C63H113N11O12/c1-26-29-30-40(16)52(75)51-56(79)66-44(27-2)59(82)68(20)43(19)58(81)74(28-3)49(38(12)13)55(78)67-48(37(10)11)62(85)69(21)45(31-34(4)5)54(77)64-41(17)53(76)65-42(18)57(80)70(22)46(32-35(6)7)60(83)71(23)47(33-36(8)9)61(84)72(24)50(39(14)15)63(86)73(51)25/h26,29,34-52,75H,27-28,30-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b29-26+/t40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 16n/an/an/an/a


TBA

Assay Description
Inhibition of NS5B S282T mutant in HCV genotype 1b infected in HuH7.5Lcu-Neo cells assessed as reduction in viral replication by luciferase reporter ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BR8WV9
More data for this
Ligand-Target Pair
Nonstructural protein 5A


(Hepatitis C virus)
BDBM50339127
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-25,30-d...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(CC)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r|
Show InChI InChI=1S/C63H113N11O12/c1-26-29-30-40(16)52(75)51-56(79)66-44(27-2)59(82)68(20)43(19)58(81)74(28-3)49(38(12)13)55(78)67-48(37(10)11)62(85)69(21)45(31-34(4)5)54(77)64-41(17)53(76)65-42(18)57(80)70(22)46(32-35(6)7)60(83)71(23)47(33-36(8)9)61(84)72(24)50(39(14)15)63(86)73(51)25/h26,29,34-52,75H,27-28,30-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b29-26+/t40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 16n/an/an/an/a


TBA

Assay Description
Inhibition of NS5A L31V mutant in HCV genotype 1b infected in HuH7.5Lcu-Neo cells assessed as reduction in viral replication by luciferase reporter g...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BR8WV9
More data for this
Ligand-Target Pair