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Compile Data Set for Download or QSAR

Found 354 hits with Last Name = 'slusarchyk' and Initial = 'wa'   
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
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))
BDBM50098322
PNG
(9-(4-{5-Methyl-4-[(4'-trifluoromethyl-biphenyl-2-c...)
Show SMILES Cc1ccc2n(CCCCC3(C(=O)NCC(F)(F)F)c4ccccc4-c4ccccc34)cnc2c1NC(=O)c1ccccc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C42H34F6N4O2/c1-26-16-21-35-37(36(26)51-38(53)32-13-3-2-10-29(32)27-17-19-28(20-18-27)42(46,47)48)50-25-52(35)23-9-8-22-40(39(54)49-24-41(43,44)45)33-14-6-4-11-30(33)31-12-5-7-15-34(31)40/h2-7,10-21,25H,8-9,22-24H2,1H3,(H,49,54)(H,51,53)
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n/an/a 0.0200n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay


J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))
BDBM50098321
PNG
(9-(4-{2,5-Dimethyl-4-[(4'-trifluoromethyl-biphenyl...)
Show SMILES Cc1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)c(C)ccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C43H36F6N4O2/c1-26-17-22-36-38(37(26)52-39(54)33-14-4-3-11-30(33)28-18-20-29(21-19-28)43(47,48)49)51-27(2)53(36)24-10-9-23-41(40(55)50-25-42(44,45)46)34-15-7-5-12-31(34)32-13-6-8-16-35(32)41/h3-8,11-22H,9-10,23-25H2,1-2H3,(H,50,55)(H,52,54)
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n/an/a 0.0300n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay


J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))
BDBM50098326
PNG
(9-(4-{2-Isopropyl-4-[(4'-trifluoromethyl-biphenyl-...)
Show SMILES CC(C)c1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C44H38F6N4O2/c1-27(2)39-53-38-36(52-40(55)33-15-4-3-12-30(33)28-20-22-29(23-21-28)44(48,49)50)18-11-19-37(38)54(39)25-10-9-24-42(41(56)51-26-43(45,46)47)34-16-7-5-13-31(34)32-14-6-8-17-35(32)42/h3-8,11-23,27H,9-10,24-26H2,1-2H3,(H,51,56)(H,52,55)
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n/an/a 0.0600n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay


J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))
BDBM50098324
PNG
(9-(4-{2-Methyl-4-[(4'-trifluoromethyl-biphenyl-2-c...)
Show SMILES Cc1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C42H34F6N4O2/c1-26-50-37-35(51-38(53)32-14-3-2-11-29(32)27-19-21-28(22-20-27)42(46,47)48)17-10-18-36(37)52(26)24-9-8-23-40(39(54)49-25-41(43,44)45)33-15-6-4-12-30(33)31-13-5-7-16-34(31)40/h2-7,10-22H,8-9,23-25H2,1H3,(H,49,54)(H,51,53)
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n/an/a 0.150n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay


J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))
BDBM50098325
PNG
(9-(4-{4-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)-...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCn2cnc3c(NC(=O)c4ccccc4-c4ccc(cc4)C(F)(F)F)cccc23)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C41H32F6N4O2/c42-40(43,44)24-48-38(53)39(32-14-5-3-11-29(32)30-12-4-6-15-33(30)39)22-7-8-23-51-25-49-36-34(16-9-17-35(36)51)50-37(52)31-13-2-1-10-28(31)26-18-20-27(21-19-26)41(45,46)47/h1-6,9-21,25H,7-8,22-24H2,(H,48,53)(H,50,52)
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n/an/a 0.240n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay


J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
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
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))
BDBM50098320
PNG
(9-(4-{4-[(4''-Trifluoromethyl-biphenyl-2-carbonyl)...)
Show SMILES FC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)c2ccccc2-c2ccc(cc2)C(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)
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n/an/a 0.800n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay


J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
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 beta-2/delta/gamma


(Homo sapiens (Human))
BDBM50144535
PNG
((2S,3R)-4-Oxo-1-[4-(6-phenyl-hexanoyl)-piperazine-...)
Show SMILES OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)CCCCCc1ccccc1
Show InChI InChI=1S/C27H38N4O5/c32-23(10-6-2-5-9-20-7-3-1-4-8-20)29-15-17-30(18-16-29)27(36)31-24(26(34)35)22(25(31)33)19-21-11-13-28-14-12-21/h1,3-4,7-8,21-22,24,28H,2,5-6,9-19H2,(H,34,35)/t22-,24+/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
Inhibitory activity against human tryptase


Bioorg Med Chem Lett 14: 2233-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.012
BindingDB Entry DOI: 10.7270/Q2SB4697
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))
BDBM50144582
PNG
((R)-1-[4-(6-Naphthalen-2-yl-hexanoyl)-piperazine-1...)
Show SMILES OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)CCCCCc1ccc2ccccc2c1
Show InChI InChI=1S/C31H40N4O5/c36-27(9-3-1-2-6-22-10-11-24-7-4-5-8-25(24)20-22)33-16-18-34(19-17-33)31(40)35-28(30(38)39)26(29(35)37)21-23-12-14-32-15-13-23/h4-5,7-8,10-11,20,23,26,28,32H,1-3,6,9,12-19,21H2,(H,38,39)/t26-,28+/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
Inhibitory activity against human tryptase


Bioorg Med Chem Lett 14: 2233-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.012
BindingDB Entry DOI: 10.7270/Q2SB4697
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))
BDBM50144555
PNG
((R)-1-{4-[2-(4-Benzyloxy-phenyl)-acetyl]-piperazin...)
Show SMILES OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C30H36N4O6/c35-26(19-21-6-8-24(9-7-21)40-20-23-4-2-1-3-5-23)32-14-16-33(17-15-32)30(39)34-27(29(37)38)25(28(34)36)18-22-10-12-31-13-11-22/h1-9,22,25,27,31H,10-20H2,(H,37,38)/t25-,27+/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
Inhibitory activity against human tryptase


Bioorg Med Chem Lett 14: 2233-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.012
BindingDB Entry DOI: 10.7270/Q2SB4697
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))
BDBM50144577
PNG
((R)-1-[4-(6-Naphthalen-1-yl-hexanoyl)-piperazine-1...)
Show SMILES OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)CCCCCc1cccc2ccccc12
Show InChI InChI=1S/C31H40N4O5/c36-27(12-3-1-2-7-23-9-6-10-24-8-4-5-11-25(23)24)33-17-19-34(20-18-33)31(40)35-28(30(38)39)26(29(35)37)21-22-13-15-32-16-14-22/h4-6,8-11,22,26,28,32H,1-3,7,12-21H2,(H,38,39)/t26-,28+/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
Inhibitory activity against human tryptase


Bioorg Med Chem Lett 14: 2233-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.012
BindingDB Entry DOI: 10.7270/Q2SB4697
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))
BDBM50098321
PNG
(9-(4-{2,5-Dimethyl-4-[(4'-trifluoromethyl-biphenyl...)
Show SMILES Cc1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)c(C)ccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C43H36F6N4O2/c1-26-17-22-36-38(37(26)52-39(54)33-14-4-3-11-30(33)28-18-20-29(21-19-28)43(47,48)49)51-27(2)53(36)24-10-9-23-41(40(55)50-25-42(44,45)46)34-15-7-5-12-31(34)32-13-6-8-16-35(32)41/h3-8,11-22H,9-10,23-25H2,1-2H3,(H,50,55)(H,52,54)
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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 Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)


J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))
BDBM50144586
PNG
((R)-1-[4-(7-Naphthalen-1-yl-heptanoyl)-piperazine-...)
Show SMILES OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)CCCCCCc1cccc2ccccc12
Show InChI InChI=1S/C32H42N4O5/c37-28(13-4-2-1-3-8-24-10-7-11-25-9-5-6-12-26(24)25)34-18-20-35(21-19-34)32(41)36-29(31(39)40)27(30(36)38)22-23-14-16-33-17-15-23/h5-7,9-12,23,27,29,33H,1-4,8,13-22H2,(H,39,40)/t27-,29+/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
Inhibitory activity against human tryptase


Bioorg Med Chem Lett 14: 2233-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.012
BindingDB Entry DOI: 10.7270/Q2SB4697
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))
BDBM50144535
PNG
((2S,3R)-4-Oxo-1-[4-(6-phenyl-hexanoyl)-piperazine-...)
Show SMILES OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)CCCCCc1ccccc1
Show InChI InChI=1S/C27H38N4O5/c32-23(10-6-2-5-9-20-7-3-1-4-8-20)29-15-17-30(18-16-29)27(36)31-24(26(34)35)22(25(31)33)19-21-11-13-28-14-12-21/h1,3-4,7-8,21-22,24,28H,2,5-6,9-19H2,(H,34,35)/t22-,24+/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
Inhibitory activity of compound against human tryptase was determined


Bioorg Med Chem Lett 14: 2227-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.011
BindingDB Entry DOI: 10.7270/Q2GM86Q3
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
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))
BDBM50098322
PNG
(9-(4-{5-Methyl-4-[(4'-trifluoromethyl-biphenyl-2-c...)
Show SMILES Cc1ccc2n(CCCCC3(C(=O)NCC(F)(F)F)c4ccccc4-c4ccccc34)cnc2c1NC(=O)c1ccccc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C42H34F6N4O2/c1-26-16-21-35-37(36(26)51-38(53)32-13-3-2-10-29(32)27-17-19-28(20-18-27)42(46,47)48)50-25-52(35)23-9-8-22-40(39(54)49-24-41(43,44)45)33-14-6-4-11-30(33)31-12-5-7-15-34(31)40/h2-7,10-21,25H,8-9,22-24H2,1H3,(H,49,54)(H,51,53)
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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 Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)


J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))
BDBM50098324
PNG
(9-(4-{2-Methyl-4-[(4'-trifluoromethyl-biphenyl-2-c...)
Show SMILES Cc1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C42H34F6N4O2/c1-26-50-37-35(51-38(53)32-14-3-2-11-29(32)27-19-21-28(22-20-27)42(46,47)48)17-10-18-36(37)52(26)24-9-8-23-40(39(54)49-25-41(43,44)45)33-15-6-4-12-30(33)31-13-5-7-16-34(31)40/h2-7,10-22H,8-9,23-25H2,1H3,(H,49,54)(H,51,53)
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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 Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)


J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50092365
PNG
((R)-1-((1H-imidazol-5-yl)methyl)-3-benzyl-4-(thiop...)
Show SMILES O=S(=O)(N1Cc2cc(ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1ccccc1)C#N)c1cccs1
Show InChI InChI=1S/C25H23N5O2S2/c26-13-20-8-9-24-21(11-20)15-30(34(31,32)25-7-4-10-33-25)23(12-19-5-2-1-3-6-19)17-29(24)16-22-14-27-18-28-22/h1-11,14,18,23H,12,15-17H2,(H,27,28)/t23-/m1/s1
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n/an/a 1.35n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human farnesyltransferase (FT)


J Med Chem 43: 3587-95 (2000)


BindingDB Entry DOI: 10.7270/Q2WD3ZSV
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50092366
PNG
(3-Benzyl-4-(2-dimethylamino-ethanesulfonyl)-1-(3H-...)
Show SMILES CN(C)CCS(=O)(=O)N1Cc2cc(ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1ccccc1)C#N
Show InChI InChI=1S/C25H30N6O2S/c1-29(2)10-11-34(32,33)31-16-22-12-21(14-26)8-9-25(22)30(17-23-15-27-19-28-23)18-24(31)13-20-6-4-3-5-7-20/h3-9,12,15,19,24H,10-11,13,16-18H2,1-2H3,(H,27,28)/t24-/m1/s1
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n/an/a 1.53n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human farnesyltransferase (FT)


J Med Chem 43: 3587-95 (2000)


BindingDB Entry DOI: 10.7270/Q2WD3ZSV
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(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 activity against human tryptase


Bioorg Med Chem Lett 14: 2233-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.012
BindingDB Entry DOI: 10.7270/Q2SB4697
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(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 activity of compound against human tryptase was determined


Bioorg Med Chem Lett 14: 2227-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.011
BindingDB Entry DOI: 10.7270/Q2GM86Q3
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))
BDBM50221046
PNG
(CHEMBL72282)
Show SMILES NCCCC[C@@H]1[C@H](N(C(=O)N2CCN(CC2)C(=O)CCCCCc2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C25H36N4O5/c26-14-8-7-12-20-22(24(32)33)29(23(20)31)25(34)28-17-15-27(16-18-28)21(30)13-6-2-5-11-19-9-3-1-4-10-19/h1,3-4,9-10,20,22H,2,5-8,11-18,26H2,(H,32,33)/t20-,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 activity of compound against human tryptase was determined


Bioorg Med Chem Lett 14: 2227-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.011
BindingDB Entry DOI: 10.7270/Q2GM86Q3
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(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 activity of compound against human tryptase was determined


Bioorg Med Chem Lett 14: 2227-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.011
BindingDB Entry DOI: 10.7270/Q2GM86Q3
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))
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))
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))
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))
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
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50092363
PNG
(3-Benzyl-1-(3H-imidazol-4-ylmethyl)-4-(propane-1-s...)
Show SMILES CCCS(=O)(=O)N1Cc2cc(ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1ccccc1)C#N
Show InChI InChI=1S/C24H27N5O2S/c1-2-10-32(30,31)29-15-21-11-20(13-25)8-9-24(21)28(16-22-14-26-18-27-22)17-23(29)12-19-6-4-3-5-7-19/h3-9,11,14,18,23H,2,10,12,15-17H2,1H3,(H,26,27)/t23-/m1/s1
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n/an/a 1.77n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human farnesyltransferase (FT)


J Med Chem 43: 3587-95 (2000)


BindingDB Entry DOI: 10.7270/Q2WD3ZSV
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50092377
PNG
(4-Benzenesulfonyl-3-benzyl-1-(3H-imidazol-4-ylmeth...)
Show SMILES O=S(=O)(N1Cc2cc(ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1ccccc1)C#N)c1ccccc1
Show InChI InChI=1S/C27H25N5O2S/c28-15-22-11-12-27-23(13-22)17-32(35(33,34)26-9-5-2-6-10-26)25(14-21-7-3-1-4-8-21)19-31(27)18-24-16-29-20-30-24/h1-13,16,20,25H,14,17-19H2,(H,29,30)/t25-/m1/s1
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n/an/a 1.77n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human farnesyltransferase (FT)


J Med Chem 43: 3587-95 (2000)


BindingDB Entry DOI: 10.7270/Q2WD3ZSV
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))
BDBM50144532
PNG
((2S,3R)-4-Oxo-1-[4-(6-phenyl-hexanoyl)-piperazine-...)
Show SMILES OC(=O)[C@@H]1[C@@H](CCC2CCCNC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)CCCCCc1ccccc1
Show InChI InChI=1S/C28H40N4O5/c33-24(12-6-2-5-10-21-8-3-1-4-9-21)30-16-18-31(19-17-30)28(37)32-25(27(35)36)23(26(32)34)14-13-22-11-7-15-29-20-22/h1,3-4,8-9,22-23,25,29H,2,5-7,10-20H2,(H,35,36)/t22?,23-,25+/m1/s1
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Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against human tryptase was determined


Bioorg Med Chem Lett 14: 2227-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.011
BindingDB Entry DOI: 10.7270/Q2GM86Q3
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
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))
BDBM50098323
PNG
(9-(4-{2-Propyl-4-[(4'-trifluoromethyl-biphenyl-2-c...)
Show SMILES CCCc1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C44H38F6N4O2/c1-2-12-38-53-39-36(52-40(55)33-16-4-3-13-30(33)28-21-23-29(24-22-28)44(48,49)50)19-11-20-37(39)54(38)26-10-9-25-42(41(56)51-27-43(45,46)47)34-17-7-5-14-31(34)32-15-6-8-18-35(32)42/h3-8,11,13-24H,2,9-10,12,25-27H2,1H3,(H,51,56)(H,52,55)
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n/an/a 2n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)


J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50092372
PNG
(3-Benzyl-7-cyano-1-(3H-imidazol-4-ylmethyl)-1,2,3,...)
Show SMILES CN(C)S(=O)(=O)N1Cc2cc(ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1ccccc1)C#N
Show InChI InChI=1S/C23H26N6O2S/c1-27(2)32(30,31)29-14-20-10-19(12-24)8-9-23(20)28(15-21-13-25-17-26-21)16-22(29)11-18-6-4-3-5-7-18/h3-10,13,17,22H,11,14-16H2,1-2H3,(H,25,26)/t22-/m1/s1
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n/an/a 2.85n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human farnesyltransferase (FT)


J Med Chem 43: 3587-95 (2000)


BindingDB Entry DOI: 10.7270/Q2WD3ZSV
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50092357
PNG
(3-Benzyl-1-(3H-imidazol-4-ylmethyl)-4-methanesulfo...)
Show SMILES CS(=O)(=O)N1Cc2cc(ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1ccccc1)C#N
Show InChI InChI=1S/C22H23N5O2S/c1-30(28,29)27-13-19-9-18(11-23)7-8-22(19)26(14-20-12-24-16-25-20)15-21(27)10-17-5-3-2-4-6-17/h2-9,12,16,21H,10,13-15H2,1H3,(H,24,25)/t21-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human farnesyltransferase (FT)


J Med Chem 43: 3587-95 (2000)


BindingDB Entry DOI: 10.7270/Q2WD3ZSV
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))
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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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))
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))
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
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))
BDBM50098326
PNG
(9-(4-{2-Isopropyl-4-[(4'-trifluoromethyl-biphenyl-...)
Show SMILES CC(C)c1nc2c(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)cccc2n1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C44H38F6N4O2/c1-27(2)39-53-38-36(52-40(55)33-15-4-3-12-30(33)28-20-22-29(23-21-28)44(48,49)50)18-11-19-37(38)54(39)25-10-9-24-42(41(56)51-26-43(45,46)47)34-16-7-5-13-31(34)32-14-6-8-17-35(32)42/h3-8,11-23,27H,9-10,24-26H2,1-2H3,(H,51,56)(H,52,55)
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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 Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)


J Med Chem 44: 851-6 (2001)


BindingDB Entry DOI: 10.7270/Q2N015S8
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))
BDBM50220841
PNG
(BMS-262084 | CHEMBL71037)
Show SMILES [#6]C([#6])([#6])[#7]-[#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/c1-18(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 activity of compound against human tryptase was determined


Bioorg Med Chem Lett 14: 2227-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.011
BindingDB Entry DOI: 10.7270/Q2GM86Q3
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(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 activity of compound against human tryptase was determined


Bioorg Med Chem Lett 14: 2227-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.011
BindingDB Entry DOI: 10.7270/Q2GM86Q3
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(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 activity against human tryptase


Bioorg Med Chem Lett 14: 2233-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.012
BindingDB Entry DOI: 10.7270/Q2SB4697
More data for this
Ligand-Target Pair
Tryptase beta-2/delta/gamma


(Homo sapiens (Human))
BDBM50144558
PNG
((R)-1-[4-(4-Benzyloxy-benzoyl)-piperazine-1-carbon...)
Show SMILES OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C29H34N4O6/c34-26(22-6-8-23(9-7-22)39-19-21-4-2-1-3-5-21)31-14-16-32(17-15-31)29(38)33-25(28(36)37)24(27(33)35)18-20-10-12-30-13-11-20/h1-9,20,24-25,30H,10-19H2,(H,36,37)/t24-,25+/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 activity against human tryptase


Bioorg Med Chem Lett 14: 2233-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.012
BindingDB Entry DOI: 10.7270/Q2SB4697
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
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