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Compile Data Set for Download or QSAR

Found 779 hits with Last Name = 'lau' and Initial = 'ck'   
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
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50373455
PNG
(CHEMBL261107)
Show SMILES OP(O)(=O)C(F)(F)c1cc2ccccc2cc1Br
Show InChI InChI=1S/C11H8BrF2O3P/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13,14)18(15,16)17/h1-6H,(H2,15,16,17)
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1.79E+5n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by fluorescein diphosphate assay


Bioorg Med Chem Lett 18: 3200-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.064
BindingDB Entry DOI: 10.7270/Q24M95DX
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50306304
PNG
((S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-((S...)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C(C)(C)O)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C27H31F4N3O2/c1-24(2,28)15-21(23(35)34-26(16-32)13-14-26)33-22(27(29,30)31)19-7-5-17(6-8-19)18-9-11-20(12-10-18)25(3,4)36/h5-12,21-22,33,36H,13-15H2,1-4H3,(H,34,35)/t21-,22-/m0/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of humanized rabbit cathepsin K


Bioorg Med Chem Lett 20: 887-92 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.083
BindingDB Entry DOI: 10.7270/Q27D2V75
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50280701
PNG
(CHEMBL275357 | Sodium; (R)-3-{(R)-1-[3-(7-chloro-q...)
Show SMILES C[C@@H](CS[C@H](CCc1ccccc1C(C)(C)O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C([O-])=O
Show InChI InChI=1S/C32H34ClNO4S/c1-21(31(35)36)20-39-30(16-13-22-7-4-5-10-28(22)32(2,3)37)24-8-6-9-27(17-24)38-19-26-15-12-23-11-14-25(33)18-29(23)34-26/h4-12,14-15,17-18,21,30,37H,13,16,19-20H2,1-3H3,(H,35,36)/p-1/t21-,30+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined; experiment 2


Bioorg Med Chem Lett 2: 1141-1146 (1992)


Article DOI: 10.1016/S0960-894X(00)80635-6
BindingDB Entry DOI: 10.7270/Q2D21XJR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50255753
PNG
(CHEMBL481611 | MK-0822 | Odanacatib)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C25H27F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,20-21,31H,12-14H2,1-3H3,(H,32,33)/t20-,21-/m0/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of humanized rabbit cathepsin K


Bioorg Med Chem Lett 21: 920-3 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.070
BindingDB Entry DOI: 10.7270/Q2Z89CQF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50255753
PNG
(CHEMBL481611 | MK-0822 | Odanacatib)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C25H27F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,20-21,31H,12-14H2,1-3H3,(H,32,33)/t20-,21-/m0/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of humanized rabbit cathepsin K


Bioorg Med Chem Lett 20: 887-92 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.083
BindingDB Entry DOI: 10.7270/Q27D2V75
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50306309
PNG
(1-(4'-((S)-1-((S)-1-(1-cyanocyclopropylamino)-4-fl...)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(N)=O)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C28H30F4N4O2/c1-25(2,29)15-21(23(37)36-26(16-33)11-12-26)35-22(28(30,31)32)19-5-3-17(4-6-19)18-7-9-20(10-8-18)27(13-14-27)24(34)38/h3-10,21-22,35H,11-15H2,1-2H3,(H2,34,38)(H,36,37)/t21-,22-/m0/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of humanized rabbit cathepsin K


Bioorg Med Chem Lett 20: 887-92 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.083
BindingDB Entry DOI: 10.7270/Q27D2V75
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50306307
PNG
((S)-2-((S)-1-(4'-((S)-1-amino-1-oxopropan-2-yl)bip...)
Show SMILES C[C@H](C(N)=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC(C)(C)F)C(=O)NC1(CC1)C#N)C(F)(F)F |r|
Show InChI InChI=1S/C27H30F4N4O2/c1-16(23(33)36)17-4-6-18(7-5-17)19-8-10-20(11-9-19)22(27(29,30)31)34-21(14-25(2,3)28)24(37)35-26(15-32)12-13-26/h4-11,16,21-22,34H,12-14H2,1-3H3,(H2,33,36)(H,35,37)/t16-,21-,22-/m0/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of humanized rabbit cathepsin K


Bioorg Med Chem Lett 20: 887-92 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.083
BindingDB Entry DOI: 10.7270/Q27D2V75
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50306306
PNG
((S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-((S...)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(O)CC1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C27H29F4N3O2/c1-24(2,28)15-21(23(35)34-25(16-32)11-12-25)33-22(27(29,30)31)19-5-3-17(4-6-19)18-7-9-20(10-8-18)26(36)13-14-26/h3-10,21-22,33,36H,11-15H2,1-2H3,(H,34,35)/t21-,22-/m0/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of humanized rabbit cathepsin K


Bioorg Med Chem Lett 20: 887-92 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.083
BindingDB Entry DOI: 10.7270/Q27D2V75
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19489
PNG
((2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifl...)
Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NCC#N |r|
Show InChI InChI=1S/C23H26F3N3O3S/c1-15(2)14-20(22(30)28-13-12-27)29-21(23(24,25)26)18-6-4-16(5-7-18)17-8-10-19(11-9-17)33(3,31)32/h4-11,15,20-21,29H,13-14H2,1-3H3,(H,28,30)/t20-,21-/m0/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of humanized rabbit cathepsin K


Bioorg Med Chem Lett 21: 920-3 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.070
BindingDB Entry DOI: 10.7270/Q2Z89CQF
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50280701
PNG
(CHEMBL275357 | Sodium; (R)-3-{(R)-1-[3-(7-chloro-q...)
Show SMILES C[C@@H](CS[C@H](CCc1ccccc1C(C)(C)O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C([O-])=O
Show InChI InChI=1S/C32H34ClNO4S/c1-21(31(35)36)20-39-30(16-13-22-7-4-5-10-28(22)32(2,3)37)24-8-6-9-27(17-24)38-19-26-15-12-23-11-14-25(33)18-29(23)34-26/h4-12,14-15,17-18,21,30,37H,13,16,19-20H2,1-3H3,(H,35,36)/p-1/t21-,30+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined; experiment 1


Bioorg Med Chem Lett 2: 1141-1146 (1992)


Article DOI: 10.1016/S0960-894X(00)80635-6
BindingDB Entry DOI: 10.7270/Q2D21XJR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50336091
PNG
((S)-N-(cyanomethyl)-2-((S)-2,2-difluoro-1-(4'-(met...)
Show SMILES CC(C)C[C@H](N[C@H](C(F)F)c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(=O)NCC#N |r|
Show InChI InChI=1S/C23H27F2N3O3S/c1-15(2)14-20(23(29)27-13-12-26)28-21(22(24)25)18-6-4-16(5-7-18)17-8-10-19(11-9-17)32(3,30)31/h4-11,15,20-22,28H,13-14H2,1-3H3,(H,27,29)/t20-,21-/m0/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of humanized rabbit cathepsin K


Bioorg Med Chem Lett 21: 920-3 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.070
BindingDB Entry DOI: 10.7270/Q2Z89CQF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50336095
PNG
(1-(4'-((S)-1-((S)-1-(1-cyanocyclopropylamino)-4-fl...)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(N)=O)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C28H29F5N4O2/c1-25(2,30)14-21(23(38)37-26(15-34)9-10-26)36-22(28(31,32)33)17-5-3-16(4-6-17)19-8-7-18(13-20(19)29)27(11-12-27)24(35)39/h3-8,13,21-22,36H,9-12,14H2,1-2H3,(H2,35,39)(H,37,38)/t21-,22-/m0/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of humanized rabbit cathepsin K


Bioorg Med Chem Lett 21: 920-3 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.070
BindingDB Entry DOI: 10.7270/Q2Z89CQF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50336094
PNG
(1-(4'-((S)-1-((S)-1-(1-cyanocyclopropylamino)-4-fl...)
Show SMILES CC(C)(F)C[C@H](N[C@H](C(F)F)c1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(N)=O)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C28H30F4N4O2/c1-26(2,32)14-21(24(37)36-27(15-33)9-10-27)35-22(23(30)31)17-5-3-16(4-6-17)19-8-7-18(13-20(19)29)28(11-12-28)25(34)38/h3-8,13,21-23,35H,9-12,14H2,1-2H3,(H2,34,38)(H,36,37)/t21-,22-/m0/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of humanized rabbit cathepsin K


Bioorg Med Chem Lett 21: 920-3 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.070
BindingDB Entry DOI: 10.7270/Q2Z89CQF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19491
PNG
((2S)-N-(1-cyanocyclopropyl)-4-methyl-2-{[(1S)-2,2,...)
Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C25H28F3N3O3S/c1-16(2)14-21(23(32)31-24(15-29)12-13-24)30-22(25(26,27)28)19-6-4-17(5-7-19)18-8-10-20(11-9-18)35(3,33)34/h4-11,16,21-22,30H,12-14H2,1-3H3,(H,31,32)/t21-,22-/m0/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of humanized rabbit cathepsin K


Bioorg Med Chem Lett 21: 920-3 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.070
BindingDB Entry DOI: 10.7270/Q2Z89CQF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50306310
PNG
((S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-((S...)
Show SMILES Cc1csc(n1)-c1ccc(cc1)[C@H](N[C@@H](CC(C)(C)F)C(=O)NC1(CC1)C#N)C(F)(F)F |r|
Show InChI InChI=1S/C22H24F4N4OS/c1-13-11-32-19(28-13)15-6-4-14(5-7-15)17(22(24,25)26)29-16(10-20(2,3)23)18(31)30-21(12-27)8-9-21/h4-7,11,16-17,29H,8-10H2,1-3H3,(H,30,31)/t16-,17-/m0/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of humanized rabbit cathepsin K


Bioorg Med Chem Lett 20: 887-92 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.083
BindingDB Entry DOI: 10.7270/Q27D2V75
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50306305
PNG
((S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-((S...)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cn1)C1(O)CC1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C26H28F4N4O2/c1-23(2,27)13-20(22(35)34-24(15-31)9-10-24)33-21(26(28,29)30)17-5-3-16(4-6-17)19-8-7-18(14-32-19)25(36)11-12-25/h3-8,14,20-21,33,36H,9-13H2,1-2H3,(H,34,35)/t20-,21-/m0/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of humanized rabbit cathepsin K


Bioorg Med Chem Lett 20: 887-92 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.083
BindingDB Entry DOI: 10.7270/Q27D2V75
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50280712
PNG
(CHEMBL14819 | Sodium; 3-{1-[3-(7-chloro-quinolin-2...)
Show SMILES [O-]C(=O)CCSC(CCc1ccccc1-c1nnc[nH]1)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C30H27ClN4O3S/c31-23-11-8-21-9-12-24(34-27(21)17-23)18-38-25-6-3-5-22(16-25)28(39-15-14-29(36)37)13-10-20-4-1-2-7-26(20)30-32-19-33-35-30/h1-9,11-12,16-17,19,28H,10,13-15,18H2,(H,36,37)(H,32,33,35)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined


Bioorg Med Chem Lett 2: 1141-1146 (1992)


Article DOI: 10.1016/S0960-894X(00)80635-6
BindingDB Entry DOI: 10.7270/Q2D21XJR
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50285678
PNG
((1-{(R)-1-{3-[(E)-2-(2,3-Dichloro-thieno[3,2-b]pyr...)
Show SMILES CC(C)(O)c1ccc(CC[C@@H](SCC2(CC(O)=O)CC2)c2cccc(\C=C\c3ccc4sc(Cl)c(Cl)c4n3)c2)cc1
Show InChI InChI=1S/C33H33Cl2NO3S2/c1-32(2,39)24-10-6-21(7-11-24)9-14-26(40-20-33(16-17-33)19-28(37)38)23-5-3-4-22(18-23)8-12-25-13-15-27-30(36-25)29(34)31(35)41-27/h3-8,10-13,15,18,26,39H,9,14,16-17,19-20H2,1-2H3,(H,37,38)/b12-8+/t26-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of [ H]-LTD4 to DMSO differentiated U937 cell membranes


Bioorg Med Chem Lett 5: 2551-2556 (1995)


Article DOI: 10.1016/0960-894X(95)00448-3
BindingDB Entry DOI: 10.7270/Q2W37W8Q
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50280713
PNG
(CHEMBL15232 | Sodium; 2-{1-[3-(7-chloro-quinolin-2...)
Show SMILES CCC(CSC(CCc1ccccc1-c1nnnn1C)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C([O-])=O
Show InChI InChI=1S/C32H32ClN5O3S/c1-3-21(32(39)40)20-42-30(16-13-22-7-4-5-10-28(22)31-35-36-37-38(31)2)24-8-6-9-27(17-24)41-19-26-15-12-23-11-14-25(33)18-29(23)34-26/h4-12,14-15,17-18,21,30H,3,13,16,19-20H2,1-2H3,(H,39,40)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined


Bioorg Med Chem Lett 2: 1141-1146 (1992)


Article DOI: 10.1016/S0960-894X(00)80635-6
BindingDB Entry DOI: 10.7270/Q2D21XJR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50306302
PNG
((S)-N-(1-cyanocyclopropyl)-2-((S)-1-(4'-((R)-2,2-d...)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)[C@@H](O)C(F)F)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C26H27F6N3O2/c1-24(2,29)13-19(23(37)35-25(14-33)11-12-25)34-21(26(30,31)32)18-9-5-16(6-10-18)15-3-7-17(8-4-15)20(36)22(27)28/h3-10,19-22,34,36H,11-13H2,1-2H3,(H,35,37)/t19-,20+,21-/m0/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of humanized rabbit cathepsin K


Bioorg Med Chem Lett 20: 887-92 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.083
BindingDB Entry DOI: 10.7270/Q27D2V75
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50306311
PNG
((S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-((S...)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc2ncccc2c1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C27H26F4N4O/c1-25(2,28)15-22(24(36)35-26(16-32)11-12-26)34-23(27(29,30)31)18-7-5-17(6-8-18)19-9-10-21-20(14-19)4-3-13-33-21/h3-10,13-14,22-23,34H,11-12,15H2,1-2H3,(H,35,36)/t22-,23-/m0/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of humanized rabbit cathepsin K


Bioorg Med Chem Lett 20: 887-92 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.083
BindingDB Entry DOI: 10.7270/Q27D2V75
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50280693
PNG
(CHEMBL15370 | Sodium; 3-[1-[3-(7-chloro-quinolin-2...)
Show SMILES CC(CSC(CCc1ccccc1[N+]([O-])=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C([O-])=O
Show InChI InChI=1S/C29H27ClN2O5S/c1-19(29(33)34)18-38-28(14-11-21-5-2-3-8-27(21)32(35)36)22-6-4-7-25(15-22)37-17-24-13-10-20-9-12-23(30)16-26(20)31-24/h2-10,12-13,15-16,19,28H,11,14,17-18H2,1H3,(H,33,34)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined; experiment 2


Bioorg Med Chem Lett 2: 1141-1146 (1992)


Article DOI: 10.1016/S0960-894X(00)80635-6
BindingDB Entry DOI: 10.7270/Q2D21XJR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50306303
PNG
((S)-N-(1-cyanocyclopropyl)-2-((S)-1-(4'-((S)-2,2-d...)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)[C@H](O)C(F)F)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C26H27F6N3O2/c1-24(2,29)13-19(23(37)35-25(14-33)11-12-25)34-21(26(30,31)32)18-9-5-16(6-10-18)15-3-7-17(8-4-15)20(36)22(27)28/h3-10,19-22,34,36H,11-13H2,1-2H3,(H,35,37)/t19-,20-,21-/m0/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of humanized rabbit cathepsin K


Bioorg Med Chem Lett 20: 887-92 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.083
BindingDB Entry DOI: 10.7270/Q27D2V75
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50280694
PNG
(CHEMBL15292 | Sodium; 3-[1-[3-(7-chloro-quinolin-2...)
Show SMILES NS(=O)(=O)c1ccccc1CCC(SCCC([O-])=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C28H27ClN2O5S2/c29-22-11-8-19-9-12-23(31-25(19)17-22)18-36-24-6-3-5-21(16-24)26(37-15-14-28(32)33)13-10-20-4-1-2-7-27(20)38(30,34)35/h1-9,11-12,16-17,26H,10,13-15,18H2,(H,32,33)(H2,30,34,35)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined; experiment 2


Bioorg Med Chem Lett 2: 1141-1146 (1992)


Article DOI: 10.1016/S0960-894X(00)80635-6
BindingDB Entry DOI: 10.7270/Q2D21XJR
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50280687
PNG
(CHEMBL280310 | Sodium; 2-[1-[3-(7-chloro-quinolin-...)
Show SMILES CCNC(=O)c1ccccc1CCC(SCC(CC)C([O-])=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C33H35ClN2O4S/c1-3-22(33(38)39)21-41-31(17-14-23-8-5-6-11-29(23)32(37)35-4-2)25-9-7-10-28(18-25)40-20-27-16-13-24-12-15-26(34)19-30(24)36-27/h5-13,15-16,18-19,22,31H,3-4,14,17,20-21H2,1-2H3,(H,35,37)(H,38,39)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined


Bioorg Med Chem Lett 2: 1141-1146 (1992)


Article DOI: 10.1016/S0960-894X(00)80635-6
BindingDB Entry DOI: 10.7270/Q2D21XJR
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50285677
PNG
((1-{(R)-1-{3-[(E)-2-(2,3-Dichloro-thieno[3,2-b]pyr...)
Show SMILES OC(=O)CC1(CS[C@H](CCc2cccc(c2)C2(O)CCC2)c2cccc(\C=C\c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1
Show InChI InChI=1S/C34H33Cl2NO3S2/c35-30-31-28(42-32(30)36)13-11-26(37-31)10-8-22-4-1-6-24(18-22)27(41-21-33(16-17-33)20-29(38)39)12-9-23-5-2-7-25(19-23)34(40)14-3-15-34/h1-2,4-8,10-11,13,18-19,27,40H,3,9,12,14-17,20-21H2,(H,38,39)/b10-8+/t27-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of [ H]-LTD4 to DMSO differentiated U937 cell membranes


Bioorg Med Chem Lett 5: 2551-2556 (1995)


Article DOI: 10.1016/0960-894X(95)00448-3
BindingDB Entry DOI: 10.7270/Q2W37W8Q
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50280686
PNG
(CHEMBL15120 | Sodium; 2-{3-(2-carbamoyl-phenyl)-1-...)
Show SMILES CCC(CSC(CCc1ccccc1C(N)=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C([O-])=O
Show InChI InChI=1S/C31H31ClN2O4S/c1-2-20(31(36)37)19-39-29(15-12-21-6-3-4-9-27(21)30(33)35)23-7-5-8-26(16-23)38-18-25-14-11-22-10-13-24(32)17-28(22)34-25/h3-11,13-14,16-17,20,29H,2,12,15,18-19H2,1H3,(H2,33,35)(H,36,37)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined


Bioorg Med Chem Lett 2: 1141-1146 (1992)


Article DOI: 10.1016/S0960-894X(00)80635-6
BindingDB Entry DOI: 10.7270/Q2D21XJR
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50280693
PNG
(CHEMBL15370 | Sodium; 3-[1-[3-(7-chloro-quinolin-2...)
Show SMILES CC(CSC(CCc1ccccc1[N+]([O-])=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C([O-])=O
Show InChI InChI=1S/C29H27ClN2O5S/c1-19(29(33)34)18-38-28(14-11-21-5-2-3-8-27(21)32(35)36)22-6-4-7-25(15-22)37-17-24-13-10-20-9-12-23(30)16-26(20)31-24/h2-10,12-13,15-16,19,28H,11,14,17-18H2,1H3,(H,33,34)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined; experiment 2


Bioorg Med Chem Lett 2: 1141-1146 (1992)


Article DOI: 10.1016/S0960-894X(00)80635-6
BindingDB Entry DOI: 10.7270/Q2D21XJR
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284902
PNG
((1-{(R)-1-{3-[(E)-2-(4-Cyclobutyl-thiazol-2-yl)-vi...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2nc(cs2)C2CCC2)c1
Show InChI InChI=1S/C33H39NO3S2/c1-32(2,37)27-12-4-3-8-24(27)14-15-29(39-22-33(17-18-33)20-31(35)36)26-11-5-7-23(19-26)13-16-30-34-28(21-38-30)25-9-6-10-25/h3-5,7-8,11-13,16,19,21,25,29,37H,6,9-10,14-15,17-18,20,22H2,1-2H3,(H,35,36)/b16-13+/t29-/m1/s1
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TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 1615-1620 (1995)


Article DOI: 10.1016/0960-894X(95)00265-U
BindingDB Entry DOI: 10.7270/Q2NV9J6V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50280696
PNG
(CHEMBL274913 | Sodium; (S)-3-{(S)-1-[3-(7-chloro-q...)
Show SMILES C[C@H](CS[C@@H](CCc1ccccc1C(C)(C)O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C([O-])=O
Show InChI InChI=1S/C32H34ClNO4S/c1-21(31(35)36)20-39-30(16-13-22-7-4-5-10-28(22)32(2,3)37)24-8-6-9-27(17-24)38-19-26-15-12-23-11-14-25(33)18-29(23)34-26/h4-12,14-15,17-18,21,30,37H,13,16,19-20H2,1-3H3,(H,35,36)/p-1/t21-,30+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined; experiment 1


Bioorg Med Chem Lett 2: 1141-1146 (1992)


Article DOI: 10.1016/S0960-894X(00)80635-6
BindingDB Entry DOI: 10.7270/Q2D21XJR
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50280695
PNG
(CHEMBL279630 | Sodium; 2-[1-{3-[2-(7-chloro-quinol...)
Show SMILES CCOC(=O)Nc1ccccc1CCC(SCC(CC)C([O-])=O)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C34H37ClN2O4S/c1-3-24(33(38)39)22-42-32(19-15-25-9-5-6-11-30(25)37-34(40)41-4-2)27-10-7-8-23(20-27)12-17-29-18-14-26-13-16-28(35)21-31(26)36-29/h5-11,13-14,16,18,20-21,24,32H,3-4,12,15,17,19,22H2,1-2H3,(H,37,40)(H,38,39)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined; experiment 1


Bioorg Med Chem Lett 2: 1141-1146 (1992)


Article DOI: 10.1016/S0960-894X(00)80635-6
BindingDB Entry DOI: 10.7270/Q2D21XJR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50306308
PNG
(1-(6-(4-((S)-1-((S)-1-(1-cyanocyclopropylamino)-4-...)
Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cn1)C1(CC1)C(N)=O)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C27H29F4N5O2/c1-24(2,28)13-20(22(37)36-25(15-32)9-10-25)35-21(27(29,30)31)17-5-3-16(4-6-17)19-8-7-18(14-34-19)26(11-12-26)23(33)38/h3-8,14,20-21,35H,9-13H2,1-2H3,(H2,33,38)(H,36,37)/t20-,21-/m0/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of humanized rabbit cathepsin K


Bioorg Med Chem Lett 20: 887-92 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.083
BindingDB Entry DOI: 10.7270/Q27D2V75
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50280699
PNG
(3-[1-[3-(7-Chloro-quinolin-2-ylmethoxy)-phenyl]-3-...)
Show SMILES CC(CSC(CCc1ccccc1C(=O)N(C)C)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(O)=O
Show InChI InChI=1S/C32H33ClN2O4S/c1-21(32(37)38)20-40-30(16-13-22-7-4-5-10-28(22)31(36)35(2)3)24-8-6-9-27(17-24)39-19-26-15-12-23-11-14-25(33)18-29(23)34-26/h4-12,14-15,17-18,21,30H,13,16,19-20H2,1-3H3,(H,37,38)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined


Bioorg Med Chem Lett 2: 1141-1146 (1992)


Article DOI: 10.1016/S0960-894X(00)80635-6
BindingDB Entry DOI: 10.7270/Q2D21XJR
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50285683
PNG
((1-{(R)-1-{3-[(E)-2-(2,3-Dichloro-thieno[3,2-b]pyr...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3sc(Cl)c(Cl)c3n2)c1
Show InChI InChI=1S/C33H33Cl2NO3S2/c1-32(2,39)25-9-4-3-7-22(25)11-14-26(40-20-33(16-17-33)19-28(37)38)23-8-5-6-21(18-23)10-12-24-13-15-27-30(36-24)29(34)31(35)41-27/h3-10,12-13,15,18,26,39H,11,14,16-17,19-20H2,1-2H3,(H,37,38)/b12-10+/t26-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of [ H]-LTD4 to DMSO differentiated U937 cell membranes


Bioorg Med Chem Lett 5: 2551-2556 (1995)


Article DOI: 10.1016/0960-894X(95)00448-3
BindingDB Entry DOI: 10.7270/Q2W37W8Q
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50280698
PNG
(CHEMBL274049 | Sodium; 3-[1-[3-(7-chloro-quinolin-...)
Show SMILES CS(=O)(=O)Nc1ccccc1CCC(SCCC([O-])=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C29H29ClN2O5S2/c1-39(35,36)32-26-8-3-2-5-20(26)11-14-28(38-16-15-29(33)34)22-6-4-7-25(17-22)37-19-24-13-10-21-9-12-23(30)18-27(21)31-24/h2-10,12-13,17-18,28,32H,11,14-16,19H2,1H3,(H,33,34)/p-1
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n/an/a 0.560n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined; experiment 1


Bioorg Med Chem Lett 2: 1141-1146 (1992)


Article DOI: 10.1016/S0960-894X(00)80635-6
BindingDB Entry DOI: 10.7270/Q2D21XJR
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50280709
PNG
(CHEMBL15344 | Sodium; 2-[1-[3-(7-chloro-quinolin-2...)
Show SMILES CCC(CSC(CCc1ccccc1S(C)(=O)=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C([O-])=O
Show InChI InChI=1S/C31H32ClNO5S2/c1-3-21(31(34)35)20-39-29(16-13-23-7-4-5-10-30(23)40(2,36)37)24-8-6-9-27(17-24)38-19-26-15-12-22-11-14-25(32)18-28(22)33-26/h4-12,14-15,17-18,21,29H,3,13,16,19-20H2,1-2H3,(H,34,35)/p-1
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n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Leukotriene D4 induced contraction of guinea-pig trachea was determined


Bioorg Med Chem Lett 2: 1141-1146 (1992)


Article DOI: 10.1016/S0960-894X(00)80635-6
BindingDB Entry DOI: 10.7270/Q2D21XJR
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284902
PNG
((1-{(R)-1-{3-[(E)-2-(4-Cyclobutyl-thiazol-2-yl)-vi...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2nc(cs2)C2CCC2)c1
Show InChI InChI=1S/C33H39NO3S2/c1-32(2,37)27-12-4-3-8-24(27)14-15-29(39-22-33(17-18-33)20-31(35)36)26-11-5-7-23(19-26)13-16-30-34-28(21-38-30)25-9-6-10-25/h3-5,7-8,11-13,16,19,21,25,29,37H,6,9-10,14-15,17-18,20,22H2,1-2H3,(H,35,36)/b16-13+/t29-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTD4 binding on guinea-pig lung membranes


Bioorg Med Chem Lett 5: 1615-1620 (1995)


Article DOI: 10.1016/0960-894X(95)00265-U
BindingDB Entry DOI: 10.7270/Q2NV9J6V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50280694
PNG
(CHEMBL15292 | Sodium; 3-[1-[3-(7-chloro-quinolin-2...)
Show SMILES NS(=O)(=O)c1ccccc1CCC(SCCC([O-])=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C28H27ClN2O5S2/c29-22-11-8-19-9-12-23(31-25(19)17-22)18-36-24-6-3-5-21(16-24)26(37-15-14-28(32)33)13-10-20-4-1-2-7-27(20)38(30,34)35/h1-9,11-12,16-17,26H,10,13-15,18H2,(H,32,33)(H2,30,34,35)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined; experiment 2


Bioorg Med Chem Lett 2: 1141-1146 (1992)


Article DOI: 10.1016/S0960-894X(00)80635-6
BindingDB Entry DOI: 10.7270/Q2D21XJR
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50280698
PNG
(CHEMBL274049 | Sodium; 3-[1-[3-(7-chloro-quinolin-...)
Show SMILES CS(=O)(=O)Nc1ccccc1CCC(SCCC([O-])=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C29H29ClN2O5S2/c1-39(35,36)32-26-8-3-2-5-20(26)11-14-28(38-16-15-29(33)34)22-6-4-7-25(17-22)37-19-24-13-10-21-9-12-23(30)18-27(21)31-24/h2-10,12-13,17-18,28,32H,11,14-16,19H2,1H3,(H,33,34)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined; experiment 2


Bioorg Med Chem Lett 2: 1141-1146 (1992)


Article DOI: 10.1016/S0960-894X(00)80635-6
BindingDB Entry DOI: 10.7270/Q2D21XJR
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50280689
PNG
(CHEMBL278411 | Sodium; 3-{1-[3-(7-chloro-quinolin-...)
Show SMILES [O-]C(=O)CCSC(CCc1ccccc1C(=O)N1CCCCC1)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C34H35ClN2O4S/c35-27-14-11-25-12-15-28(36-31(25)22-27)23-41-29-9-6-8-26(21-29)32(42-20-17-33(38)39)16-13-24-7-2-3-10-30(24)34(40)37-18-4-1-5-19-37/h2-3,6-12,14-15,21-22,32H,1,4-5,13,16-20,23H2,(H,38,39)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined


Bioorg Med Chem Lett 2: 1141-1146 (1992)


Article DOI: 10.1016/S0960-894X(00)80635-6
BindingDB Entry DOI: 10.7270/Q2D21XJR
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50280695
PNG
(CHEMBL279630 | Sodium; 2-[1-{3-[2-(7-chloro-quinol...)
Show SMILES CCOC(=O)Nc1ccccc1CCC(SCC(CC)C([O-])=O)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C34H37ClN2O4S/c1-3-24(33(38)39)22-42-32(19-15-25-9-5-6-11-30(25)37-34(40)41-4-2)27-10-7-8-23(20-27)12-17-29-18-14-26-13-16-28(35)21-31(26)36-29/h5-11,13-14,16,18,20-21,24,32H,3-4,12,15,17,19,22H2,1-2H3,(H,37,40)(H,38,39)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined; experiment 2


Bioorg Med Chem Lett 2: 1141-1146 (1992)


Article DOI: 10.1016/S0960-894X(00)80635-6
BindingDB Entry DOI: 10.7270/Q2D21XJR
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50285675
PNG
((1-{(R)-1-{3-[(E)-2-(2,3-Dichloro-thieno[3,2-b]pyr...)
Show SMILES OC(=O)CC1(CS[C@H](CCc2ccc(cc2)C2(O)CCC2)c2cccc(\C=C\c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1
Show InChI InChI=1S/C34H33Cl2NO3S2/c35-30-31-28(42-32(30)36)14-12-26(37-31)11-7-23-3-1-4-24(19-23)27(41-21-33(17-18-33)20-29(38)39)13-8-22-5-9-25(10-6-22)34(40)15-2-16-34/h1,3-7,9-12,14,19,27,40H,2,8,13,15-18,20-21H2,(H,38,39)/b11-7+/t27-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of [ H]-LTD4 to DMSO differentiated U937 cell membranes


Bioorg Med Chem Lett 5: 2551-2556 (1995)


Article DOI: 10.1016/0960-894X(95)00448-3
BindingDB Entry DOI: 10.7270/Q2W37W8Q
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284899
PNG
(CHEMBL287722 | {1-[(R)-3-[2-(1-Hydroxy-1-methyl-et...)
Show SMILES CC(CC(F)(F)F)c1csc(\C=C\c2cccc(c2)[C@@H](CCc2ccccc2C(C)(C)O)SCC2(CC(O)=O)CC2)n1
Show InChI InChI=1S/C33H38F3NO3S2/c1-22(18-33(34,35)36)27-20-41-29(37-27)14-11-23-7-6-9-25(17-23)28(42-21-32(15-16-32)19-30(38)39)13-12-24-8-4-5-10-26(24)31(2,3)40/h4-11,14,17,20,22,28,40H,12-13,15-16,18-19,21H2,1-3H3,(H,38,39)/b14-11+/t22?,28-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTD4 binding on guinea-pig lung membranes


Bioorg Med Chem Lett 5: 1615-1620 (1995)


Article DOI: 10.1016/0960-894X(95)00265-U
BindingDB Entry DOI: 10.7270/Q2NV9J6V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50285671
PNG
(CHEMBL86063 | {1-[(R)-1-{3-[(E)-2-(2,3-Dichloro-th...)
Show SMILES OCc1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3sc(Cl)c(Cl)c3n2)c1
Show InChI InChI=1S/C31H29Cl2NO3S2/c32-28-29-26(39-30(28)33)13-11-24(34-29)10-8-20-4-3-7-22(16-20)25(38-19-31(14-15-31)17-27(36)37)12-9-21-5-1-2-6-23(21)18-35/h1-8,10-11,13,16,25,35H,9,12,14-15,17-19H2,(H,36,37)/b10-8+/t25-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of [ H]-LTD4 to DMSO differentiated U937 cell membranes


Bioorg Med Chem Lett 5: 2551-2556 (1995)


Article DOI: 10.1016/0960-894X(95)00448-3
BindingDB Entry DOI: 10.7270/Q2W37W8Q
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50285674
PNG
((1-{(R)-1-{3-[(E)-2-(2,3-Difluoro-thieno[3,2-b]pyr...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3sc(F)c(F)c3n2)c1
Show InChI InChI=1S/C33H33F2NO3S2/c1-32(2,39)25-9-4-3-7-22(25)11-14-26(40-20-33(16-17-33)19-28(37)38)23-8-5-6-21(18-23)10-12-24-13-15-27-30(36-24)29(34)31(35)41-27/h3-10,12-13,15,18,26,39H,11,14,16-17,19-20H2,1-2H3,(H,37,38)/b12-10+/t26-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of [ H]-LTD4 to DMSO differentiated U937 cell membranes


Bioorg Med Chem Lett 5: 2551-2556 (1995)


Article DOI: 10.1016/0960-894X(95)00448-3
BindingDB Entry DOI: 10.7270/Q2W37W8Q
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50280703
PNG
(CHEMBL278210 | Sodium; 2-{1-[3-(7-chloro-quinolin-...)
Show SMILES CCC(CSC(CCc1ccccc1-c1nnn[nH]1)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C([O-])=O
Show InChI InChI=1S/C31H30ClN5O3S/c1-2-20(31(38)39)19-41-29(15-12-21-6-3-4-9-27(21)30-34-36-37-35-30)23-7-5-8-26(16-23)40-18-25-14-11-22-10-13-24(32)17-28(22)33-25/h3-11,13-14,16-17,20,29H,2,12,15,18-19H2,1H3,(H,38,39)(H,34,35,36,37)/p-1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined; experiment 1


Bioorg Med Chem Lett 2: 1141-1146 (1992)


Article DOI: 10.1016/S0960-894X(00)80635-6
BindingDB Entry DOI: 10.7270/Q2D21XJR
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284905
PNG
((1-{(R)-1-{3-[(E)-2-(5,6-Difluoro-benzothiazol-2-y...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2nc3cc(F)c(F)cc3s2)c1
Show InChI InChI=1S/C33H33F2NO3S2/c1-32(2,39)24-9-4-3-7-22(24)11-12-28(40-20-33(14-15-33)19-31(37)38)23-8-5-6-21(16-23)10-13-30-36-27-17-25(34)26(35)18-29(27)41-30/h3-10,13,16-18,28,39H,11-12,14-15,19-20H2,1-2H3,(H,37,38)/b13-10+/t28-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTD4 binding on guinea-pig lung membranes


Bioorg Med Chem Lett 5: 1615-1620 (1995)


Article DOI: 10.1016/0960-894X(95)00265-U
BindingDB Entry DOI: 10.7270/Q2NV9J6V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284895
PNG
((1-{(R)-1-{3-[(E)-2-(4-Cyclopentyl-thiazol-2-yl)-v...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2nc(cs2)C2CCCC2)c1
Show InChI InChI=1S/C34H41NO3S2/c1-33(2,38)28-13-6-5-9-25(28)15-16-30(40-23-34(18-19-34)21-32(36)37)27-12-7-8-24(20-27)14-17-31-35-29(22-39-31)26-10-3-4-11-26/h5-9,12-14,17,20,22,26,30,38H,3-4,10-11,15-16,18-19,21,23H2,1-2H3,(H,36,37)/b17-14+/t30-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTD4 binding on guinea-pig lung membranes


Bioorg Med Chem Lett 5: 1615-1620 (1995)


Article DOI: 10.1016/0960-894X(95)00265-U
BindingDB Entry DOI: 10.7270/Q2NV9J6V
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50336089
PNG
((S)-N-(1-cyanocyclopropyl)-2-((S)-2,2-difluoro-1-(...)
Show SMILES CC(C)C[C@H](N[C@H](C(F)F)c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C25H29F2N3O3S/c1-16(2)14-21(24(31)30-25(15-28)12-13-25)29-22(23(26)27)19-6-4-17(5-7-19)18-8-10-20(11-9-18)34(3,32)33/h4-11,16,21-23,29H,12-14H2,1-3H3,(H,30,31)/t21-,22-/m0/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of humanized rabbit cathepsin K


Bioorg Med Chem Lett 21: 920-3 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.070
BindingDB Entry DOI: 10.7270/Q2Z89CQF
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50280696
PNG
(CHEMBL274913 | Sodium; (S)-3-{(S)-1-[3-(7-chloro-q...)
Show SMILES C[C@H](CS[C@@H](CCc1ccccc1C(C)(C)O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C([O-])=O
Show InChI InChI=1S/C32H34ClNO4S/c1-21(31(35)36)20-39-30(16-13-22-7-4-5-10-28(22)32(2,3)37)24-8-6-9-27(17-24)38-19-26-15-12-23-11-14-25(33)18-29(23)34-26/h4-12,14-15,17-18,21,30,37H,13,16,19-20H2,1-3H3,(H,35,36)/p-1/t21-,30+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined; experiment 1


Bioorg Med Chem Lett 2: 1141-1146 (1992)


Article DOI: 10.1016/S0960-894X(00)80635-6
BindingDB Entry DOI: 10.7270/Q2D21XJR
More data for this
Ligand-Target Pair
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