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Compile Data Set for Download or QSAR

Found 1483 hits with Last Name = 'matassa' and Initial = 'vg'   
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
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50110121
PNG
(3-[2-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylam...)
Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O
Show InChI InChI=1S/C45H56F2N6O15/c1-24(54)48-32(23-36(59)60)43(65)49-29(18-20-35(57)58)41(63)53-38(37(26-13-7-3-8-14-26)27-15-9-4-10-16-27)44(66)50-28(17-19-34(55)56)40(62)52-31(21-25-11-5-2-6-12-25)42(64)51-30(22-33(46)47)39(61)45(67)68/h3-4,7-10,13-16,25,28-33,37-38H,2,5-6,11-12,17-23H2,1H3,(H,48,54)(H,49,65)(H,50,66)(H,51,64)(H,52,62)(H,53,63)(H,55,56)(H,57,58)(H,59,60)(H,67,68)/t28-,29-,30-,31-,32-,38-/m0/s1
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 0.0100n/an/an/an/an/an/an/an/a



IRBM, MRL Rome

Curated by ChEMBL


Assay Description
Inhibition of hepatitis C virus (HCV) NS3/NS4A serine protease

Bioorg Med Chem Lett 12: 701-4 (2002)


BindingDB Entry DOI: 10.7270/Q28P5ZSS
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50110121
PNG
(3-[2-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylam...)
Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O
Show InChI InChI=1S/C45H56F2N6O15/c1-24(54)48-32(23-36(59)60)43(65)49-29(18-20-35(57)58)41(63)53-38(37(26-13-7-3-8-14-26)27-15-9-4-10-16-27)44(66)50-28(17-19-34(55)56)40(62)52-31(21-25-11-5-2-6-12-25)42(64)51-30(22-33(46)47)39(61)45(67)68/h3-4,7-10,13-16,25,28-33,37-38H,2,5-6,11-12,17-23H2,1H3,(H,48,54)(H,49,65)(H,50,66)(H,51,64)(H,52,62)(H,53,63)(H,55,56)(H,57,58)(H,59,60)(H,67,68)/t28-,29-,30-,31-,32-,38-/m0/s1
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 0.0100n/an/an/an/an/an/an/an/a



IRBM, MRL Rome

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3/NS4A serine protease

Bioorg Med Chem Lett 12: 705-8 (2002)


BindingDB Entry DOI: 10.7270/Q24X572V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227363
PNG
(CHEMBL299837)
Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)NC3CCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C28H28ClN5O5S/c1-34-24-13-12-20(31-28(36)30-19-6-5-7-19)16-21(24)23(32-34)14-17-10-11-18(15-25(17)39-2)27(35)33-40(37,38)26-9-4-3-8-22(26)29/h3-4,8-13,15-16,19H,5-7,14H2,1-2H3,(H,33,35)(H2,30,31,36)
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 0.100n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227366
PNG
(CHEMBL48927)
Show SMILES COCCn1cc(Cc2ccc(cc2OC)C(=O)NS(=O)(=O)c2ccccc2)c2cc(NC(=O)OC3CCCC3)ccc12
Show InChI InChI=1S/C32H35N3O7S/c1-40-17-16-35-21-24(28-20-25(14-15-29(28)35)33-32(37)42-26-8-6-7-9-26)18-22-12-13-23(19-30(22)41-2)31(36)34-43(38,39)27-10-4-3-5-11-27/h3-5,10-15,19-21,26H,6-9,16-18H2,1-2H3,(H,33,37)(H,34,36)
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 0.200n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227364
PNG
(CHEMBL299093)
Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)CC3CCCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C31H33ClN4O5S/c1-36-27-15-14-23(33-30(37)16-20-8-4-3-5-9-20)19-24(27)26(34-36)17-21-12-13-22(18-28(21)41-2)31(38)35-42(39,40)29-11-7-6-10-25(29)32/h6-7,10-15,18-20H,3-5,8-9,16-17H2,1-2H3,(H,33,37)(H,35,38)
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 0.25n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227361
PNG
(CHEMBL51585)
Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H30N4O6S/c1-33-26-15-14-21(30-29(35)39-22-8-6-7-9-22)18-24(26)25(31-33)16-19-12-13-20(17-27(19)38-2)28(34)32-40(36,37)23-10-4-3-5-11-23/h3-5,10-15,17-18,22H,6-9,16H2,1-2H3,(H,30,35)(H,32,34)
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 0.25n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50009073
PNG
(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
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 0.300n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227358
PNG
(CHEMBL412056)
Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C30H32N4O6S/c1-19-8-4-7-11-28(19)41(37,38)33-29(35)21-13-12-20(27(17-21)39-3)16-25-24-18-22(14-15-26(24)34(2)32-25)31-30(36)40-23-9-5-6-10-23/h4,7-8,11-15,17-18,23H,5-6,9-10,16H2,1-3H3,(H,31,36)(H,33,35)
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 0.300n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227365
PNG
(CHEMBL300096)
Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C30H31ClN4O5S/c1-35-26-14-13-22(32-29(36)15-19-7-3-4-8-19)18-23(26)25(33-35)16-20-11-12-21(17-27(20)40-2)30(37)34-41(38,39)28-10-6-5-9-24(28)31/h5-6,9-14,17-19H,3-4,7-8,15-16H2,1-2H3,(H,32,36)(H,34,37)
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 0.300n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227640
PNG
(CHEMBL297952)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C31H32ClN3O5S/c1-35-19-23(25-18-24(13-14-27(25)35)33-30(36)15-20-7-3-4-8-20)16-21-11-12-22(17-28(21)40-2)31(37)34-41(38,39)29-10-6-5-9-26(29)32/h5-6,9-14,17-20H,3-4,7-8,15-16H2,1-2H3,(H,33,36)(H,34,37)
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 0.300n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50015528
PNG
(CHEMBL50370 | N-[3-(4-Benzenesulfonylaminocarbonyl...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C31H33N3O5S/c1-34-20-24(27-19-25(14-15-28(27)34)32-30(35)16-21-8-6-7-9-21)17-22-12-13-23(18-29(22)39-2)31(36)33-40(37,38)26-10-4-3-5-11-26/h3-5,10-15,18-21H,6-9,16-17H2,1-2H3,(H,32,35)(H,33,36)
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 0.300n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227356
PNG
(CHEMBL49944)
Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C29H29ClN4O6S/c1-34-25-14-13-20(31-29(36)40-21-7-3-4-8-21)17-22(25)24(32-34)15-18-11-12-19(16-26(18)39-2)28(35)33-41(37,38)27-10-6-5-9-23(27)30/h5-6,9-14,16-17,21H,3-4,7-8,15H2,1-2H3,(H,31,36)(H,33,35)
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 0.300n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227355
PNG
(CHEMBL296821)
Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C29H29BrN4O6S/c1-34-25-14-13-20(31-29(36)40-21-7-3-4-8-21)17-22(25)24(32-34)15-18-11-12-19(16-26(18)39-2)28(35)33-41(37,38)27-10-6-5-9-23(27)30/h5-6,9-14,16-17,21H,3-4,7-8,15H2,1-2H3,(H,31,36)(H,33,35)
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 0.300n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227642
PNG
(CHEMBL50562)
Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H34N4O5S/c1-20-8-4-7-11-29(20)41(38,39)34-31(37)23-13-12-22(28(18-23)40-3)17-26-25-19-24(14-15-27(25)35(2)33-26)32-30(36)16-21-9-5-6-10-21/h4,7-8,11-15,18-19,21H,5-6,9-10,16-17H2,1-3H3,(H,32,36)(H,34,37)
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 0.300n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50110117
PNG
(4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3...)
Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C=O
Show InChI InChI=1S/C44H56F2N6O13/c1-25(54)47-33(23-37(59)60)43(64)49-31(18-20-36(57)58)41(62)52-39(38(27-13-7-3-8-14-27)28-15-9-4-10-16-28)44(65)50-30(17-19-35(55)56)40(61)51-32(21-26-11-5-2-6-12-26)42(63)48-29(24-53)22-34(45)46/h3-4,7-10,13-16,24,26,29-34,38-39H,2,5-6,11-12,17-23H2,1H3,(H,47,54)(H,48,63)(H,49,64)(H,50,65)(H,51,61)(H,52,62)(H,55,56)(H,57,58)(H,59,60)/t29-,30-,31-,32-,33-,39-/m0/s1
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 0.5n/an/an/an/an/an/an/an/a



IRBM, MRL Rome

Curated by ChEMBL


Assay Description
Inhibition of hepatitis C virus (HCV) NS3/NS4A serine protease

Bioorg Med Chem Lett 12: 701-4 (2002)


BindingDB Entry DOI: 10.7270/Q28P5ZSS
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50000819
PNG
(2-Cyclopentyl-N-{3-[2-methoxy-4-(toluene-2-sulfony...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C32H35N3O5S/c1-21-8-4-7-11-30(21)41(38,39)34-32(37)24-13-12-23(29(18-24)40-3)17-25-20-35(2)28-15-14-26(19-27(25)28)33-31(36)16-22-9-5-6-10-22/h4,7-8,11-15,18-20,22H,5-6,9-10,16-17H2,1-3H3,(H,33,36)(H,34,37)
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 0.5n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50110117
PNG
(4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3...)
Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C=O
Show InChI InChI=1S/C44H56F2N6O13/c1-25(54)47-33(23-37(59)60)43(64)49-31(18-20-36(57)58)41(62)52-39(38(27-13-7-3-8-14-27)28-15-9-4-10-16-28)44(65)50-30(17-19-35(55)56)40(61)51-32(21-26-11-5-2-6-12-26)42(63)48-29(24-53)22-34(45)46/h3-4,7-10,13-16,24,26,29-34,38-39H,2,5-6,11-12,17-23H2,1H3,(H,47,54)(H,48,63)(H,49,64)(H,50,65)(H,51,61)(H,52,62)(H,55,56)(H,57,58)(H,59,60)/t29-,30-,31-,32-,33-,39-/m0/s1
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 0.5n/an/an/an/an/an/an/an/a



IRBM, MRL Rome

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3/NS4A serine protease

Bioorg Med Chem Lett 12: 705-8 (2002)


BindingDB Entry DOI: 10.7270/Q24X572V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50015523
PNG
(CHEMBL52492 | N-{4-[5-(3-Cyclopentyl-ureido)-1-pro...)
Show SMILES CCCn1cc(Cc2ccc(cc2OC)C(=O)NS(=O)(=O)c2ccccc2)c2cc(NC(=O)NC3CCCC3)ccc12
Show InChI InChI=1S/C32H36N4O5S/c1-3-17-36-21-24(28-20-26(15-16-29(28)36)34-32(38)33-25-9-7-8-10-25)18-22-13-14-23(19-30(22)41-2)31(37)35-42(39,40)27-11-5-4-6-12-27/h4-6,11-16,19-21,25H,3,7-10,17-18H2,1-2H3,(H,35,37)(H2,33,34,38)
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 0.5n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227390
PNG
(CHEMBL301616)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C31H32BrN3O5S/c1-35-19-23(25-18-24(13-14-27(25)35)33-30(36)15-20-7-3-4-8-20)16-21-11-12-22(17-28(21)40-2)31(37)34-41(38,39)29-10-6-5-9-26(29)32/h5-6,9-14,17-20H,3-4,7-8,15-16H2,1-2H3,(H,33,36)(H,34,37)
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 0.5n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227389
PNG
(CHEMBL51580)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C30H31ClN4O5S/c1-35-18-21(24-17-23(13-14-26(24)35)33-30(37)32-22-7-3-4-8-22)15-19-11-12-20(16-27(19)40-2)29(36)34-41(38,39)28-10-6-5-9-25(28)31/h5-6,9-14,16-18,22H,3-4,7-8,15H2,1-2H3,(H,34,36)(H2,32,33,37)
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 0.700n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227367
PNG
(CHEMBL48435)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H31N3O6S/c1-33-19-22(26-18-23(14-15-27(26)33)31-30(35)39-24-8-6-7-9-24)16-20-12-13-21(17-28(20)38-2)29(34)32-40(36,37)25-10-4-3-5-11-25/h3-5,10-15,17-19,24H,6-9,16H2,1-2H3,(H,31,35)(H,32,34)
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 0.800n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50015551
PNG
(CHEMBL301498 | N-{4-[5-(3-Cyclopentyl-ureido)-1-me...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H32N4O5S/c1-34-19-22(26-18-24(14-15-27(26)34)32-30(36)31-23-8-6-7-9-23)16-20-12-13-21(17-28(20)39-2)29(35)33-40(37,38)25-10-4-3-5-11-25/h3-5,10-15,17-19,23H,6-9,16H2,1-2H3,(H,33,35)(H2,31,32,36)
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 0.800n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50015517
PNG
(2-Cyclopentyl-N-{3-[2-methoxy-4-(toluene-2-sulfony...)
Show SMILES COc1cc(ccc1Cc1c[nH]c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H33N3O5S/c1-20-7-3-6-10-29(20)40(37,38)34-31(36)23-12-11-22(28(17-23)39-2)16-24-19-32-27-14-13-25(18-26(24)27)33-30(35)15-21-8-4-5-9-21/h3,6-7,10-14,17-19,21,32H,4-5,8-9,15-16H2,1-2H3,(H,33,35)(H,34,36)
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 1n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50015540
PNG
(CHEMBL431348 | N-{4-[5-(3-Cyclopentyl-ureido)-1-me...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H34N4O5S/c1-20-8-4-7-11-29(20)41(38,39)34-30(36)22-13-12-21(28(17-22)40-3)16-23-19-35(2)27-15-14-25(18-26(23)27)33-31(37)32-24-9-5-6-10-24/h4,7-8,11-15,17-19,24H,5-6,9-10,16H2,1-3H3,(H,34,36)(H2,32,33,37)
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 1.40n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227638
PNG
(CHEMBL49566)
Show SMILES COc1cc(ccc1Cc1c[nH]c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H29N3O6S/c1-37-27-16-20(28(33)32-39(35,36)24-9-3-2-4-10-24)12-11-19(27)15-21-18-30-26-14-13-22(17-25(21)26)31-29(34)38-23-7-5-6-8-23/h2-4,9-14,16-18,23,30H,5-8,15H2,1H3,(H,31,34)(H,32,33)
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 1.40n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50110122
PNG
((S)-4-((S)-2-Acetylamino-3-carboxy-propionylamino)...)
Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C52H63F2N7O14/c1-30(62)56-39(28-43(67)68)50(73)57-36(23-25-42(65)66)48(71)61-45(44(33-18-10-4-11-19-33)34-20-12-5-13-21-34)51(74)58-35(22-24-41(63)64)47(70)60-38(26-31-14-6-2-7-15-31)49(72)59-37(27-40(53)54)46(69)52(75)55-29-32-16-8-3-9-17-32/h3-5,8-13,16-21,31,35-40,44-45H,2,6-7,14-15,22-29H2,1H3,(H,55,75)(H,56,62)(H,57,73)(H,58,74)(H,59,72)(H,60,70)(H,61,71)(H,63,64)(H,65,66)(H,67,68)/t35-,36-,37-,38-,39-,45-/m0/s1
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 1.5n/an/an/an/an/an/an/an/a



IRBM, MRL Rome

Curated by ChEMBL


Assay Description
Inhibition of hepatitis C virus (HCV) NS3/NS4A serine protease

Bioorg Med Chem Lett 12: 701-4 (2002)


BindingDB Entry DOI: 10.7270/Q28P5ZSS
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50110120
PNG
(3-[2-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylam...)
Show SMILES COC(=O)C(=O)[C@H](CC(F)F)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C46H58F2N6O15/c1-25(55)49-33(24-37(60)61)44(66)50-30(19-21-36(58)59)42(64)54-39(38(27-14-8-4-9-15-27)28-16-10-5-11-17-28)45(67)51-29(18-20-35(56)57)41(63)53-32(22-26-12-6-3-7-13-26)43(65)52-31(23-34(47)48)40(62)46(68)69-2/h4-5,8-11,14-17,26,29-34,38-39H,3,6-7,12-13,18-24H2,1-2H3,(H,49,55)(H,50,66)(H,51,67)(H,52,65)(H,53,63)(H,54,64)(H,56,57)(H,58,59)(H,60,61)/t29-,30-,31-,32-,33-,39-/m0/s1
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 2n/an/an/an/an/an/an/an/a



IRBM, MRL Rome

Curated by ChEMBL


Assay Description
Inhibition of hepatitis C virus (HCV) NS3/NS4A serine protease

Bioorg Med Chem Lett 12: 701-4 (2002)


BindingDB Entry DOI: 10.7270/Q28P5ZSS
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50009070
PNG
((2S,3R)-3-(2-Carboxy-ethylsulfanyl)-2-hydroxy-3-[2...)
Show SMILES O[C@H]([C@H](SCCC(O)=O)c1ccccc1CCCCCCCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H34O5S/c27-23(28)18-19-32-25(24(29)26(30)31)22-17-11-10-16-21(22)15-9-4-2-1-3-6-12-20-13-7-5-8-14-20/h5,7-8,10-11,13-14,16-17,24-25,29H,1-4,6,9,12,15,18-19H2,(H,27,28)(H,30,31)/t24-,25-/m1/s1
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 5n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displasement of [3H]-LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227354
PNG
(CHEMBL51289)
Show SMILES COc1cc(ccc1Cc1cn(Cc2cccc(c2)C#N)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C33H34N4O5S/c1-42-31-17-26(33(39)36-43(2,40)41)11-10-25(31)16-27-21-37(20-24-9-5-8-23(14-24)19-34)30-13-12-28(18-29(27)30)35-32(38)15-22-6-3-4-7-22/h5,8-14,17-18,21-22H,3-4,6-7,15-16,20H2,1-2H3,(H,35,38)(H,36,39)
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 5.60n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227353
PNG
(CHEMBL51239)
Show SMILES COc1cc(ccc1Cc1cn(Cc2cccc(c2)C#N)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)C(C)C
Show InChI InChI=1S/C35H38N4O5S/c1-23(2)45(42,43)38-35(41)28-12-11-27(33(18-28)44-3)17-29-22-39(21-26-10-6-9-25(15-26)20-36)32-14-13-30(19-31(29)32)37-34(40)16-24-7-4-5-8-24/h6,9-15,18-19,22-24H,4-5,7-8,16-17,21H2,1-3H3,(H,37,40)(H,38,41)
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 6.80n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50110126
PNG
(4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3...)
Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC=C)C=O
Show InChI InChI=1S/C45H58N6O13/c1-3-13-31(26-52)47-43(62)34(24-28-14-7-4-8-15-28)50-41(60)32(20-22-36(54)55)49-45(64)40(39(29-16-9-5-10-17-29)30-18-11-6-12-19-30)51-42(61)33(21-23-37(56)57)48-44(63)35(25-38(58)59)46-27(2)53/h3,5-6,9-12,16-19,26,28,31-35,39-40H,1,4,7-8,13-15,20-25H2,2H3,(H,46,53)(H,47,62)(H,48,63)(H,49,64)(H,50,60)(H,51,61)(H,54,55)(H,56,57)(H,58,59)/t31-,32-,33-,34-,35-,40-/m0/s1
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 7n/an/an/an/an/an/an/an/a



IRBM, MRL Rome

Curated by ChEMBL


Assay Description
Inhibition of hepatitis C virus (HCV) NS3/NS4A serine protease

Bioorg Med Chem Lett 12: 701-4 (2002)


BindingDB Entry DOI: 10.7270/Q28P5ZSS
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227359
PNG
(CHEMBL51061)
Show SMILES COc1cc(ccc1Cc1cn(Cc2cccc(c2)C#N)c2ccc(NC(=O)CC3CCCC3)cc12)C(O)=O
Show InChI InChI=1S/C32H31N3O4/c1-39-30-16-25(32(37)38)10-9-24(30)15-26-20-35(19-23-8-4-7-22(13-23)18-33)29-12-11-27(17-28(26)29)34-31(36)14-21-5-2-3-6-21/h4,7-13,16-17,20-21H,2-3,5-6,14-15,19H2,1H3,(H,34,36)(H,37,38)
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 10n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50150997
PNG
(4-{2-[(S)-4,4-Difluoro-2-({(2S,4R)-1-((S)-2-isobut...)
Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc3c(F)cc(cc3F)C(O)=O)cc(nc2c1)-c1csc(NC(C)C)n1
Show InChI InChI=1S/C44H53F4N7O9S/c1-21(2)19-63-44(61)54-38(22(3)4)41(58)55-18-26(64-36-16-32(34-20-65-43(53-34)50-23(5)6)51-31-14-25(62-7)8-9-28(31)36)15-35(55)40(57)52-33(17-37(47)48)39(56)49-11-10-27-29(45)12-24(42(59)60)13-30(27)46/h8-9,12-14,16,20-23,26,33,35,37-38H,10-11,15,17-19H2,1-7H3,(H,49,56)(H,50,53)(H,52,57)(H,54,61)(H,59,60)/t26-,33+,35+,38+/m1/s1
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 20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease

Bioorg Med Chem Lett 14: 4575-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.093
BindingDB Entry DOI: 10.7270/Q27S7PHC
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50150993
PNG
(4-[2-(4,4-Difluoro-2-{[(S)-(R)-1-(2-isobutoxycarbo...)
Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)C(NC(=O)OCC(C)C)C(C)(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc3c(F)cc(cc3F)C(O)=O)cc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C45H51F4N5O9/c1-24(2)23-62-44(60)53-39(45(3,4)5)42(57)54-22-28(63-37-20-33(25-10-8-7-9-11-25)51-34-18-27(61-6)12-13-30(34)37)19-36(54)41(56)52-35(21-38(48)49)40(55)50-15-14-29-31(46)16-26(43(58)59)17-32(29)47/h7-13,16-18,20,24,28,35-36,38-39H,14-15,19,21-23H2,1-6H3,(H,50,55)(H,52,56)(H,53,60)(H,58,59)/t28-,35+,36+,39?/m1/s1
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 30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease

Bioorg Med Chem Lett 14: 4575-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.093
BindingDB Entry DOI: 10.7270/Q27S7PHC
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50110125
PNG
(2-[2-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylam...)
Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(O)=O
Show InChI InChI=1S/C44H56F2N6O14/c1-24(53)47-31(23-36(58)59)42(63)48-29(18-20-35(56)57)40(61)52-38(37(26-13-7-3-8-14-26)27-15-9-4-10-16-27)43(64)49-28(17-19-34(54)55)39(60)50-30(21-25-11-5-2-6-12-25)41(62)51-32(44(65)66)22-33(45)46/h3-4,7-10,13-16,25,28-33,37-38H,2,5-6,11-12,17-23H2,1H3,(H,47,53)(H,48,63)(H,49,64)(H,50,60)(H,51,62)(H,52,61)(H,54,55)(H,56,57)(H,58,59)(H,65,66)/t28-,29-,30-,31-,32-,38-/m0/s1
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 30n/an/an/an/an/an/an/an/a



IRBM, MRL Rome

Curated by ChEMBL


Assay Description
Inhibition of hepatitis C virus (HCV) NS3/NS4A serine protease

Bioorg Med Chem Lett 12: 701-4 (2002)


BindingDB Entry DOI: 10.7270/Q28P5ZSS
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50110125
PNG
(2-[2-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylam...)
Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(O)=O
Show InChI InChI=1S/C44H56F2N6O14/c1-24(53)47-31(23-36(58)59)42(63)48-29(18-20-35(56)57)40(61)52-38(37(26-13-7-3-8-14-26)27-15-9-4-10-16-27)43(64)49-28(17-19-34(54)55)39(60)50-30(21-25-11-5-2-6-12-25)41(62)51-32(44(65)66)22-33(45)46/h3-4,7-10,13-16,25,28-33,37-38H,2,5-6,11-12,17-23H2,1H3,(H,47,53)(H,48,63)(H,49,64)(H,50,60)(H,51,62)(H,52,61)(H,54,55)(H,56,57)(H,58,59)(H,65,66)/t28-,29-,30-,31-,32-,38-/m0/s1
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 40n/an/an/an/an/an/an/an/a



IRBM, MRL Rome

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3/NS4A serine protease

Bioorg Med Chem Lett 12: 705-8 (2002)


BindingDB Entry DOI: 10.7270/Q24X572V
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50084685
PNG
(4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3...)
Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C43H56N6O14S/c1-24(50)44-31(22-35(55)56)41(60)45-29(18-20-34(53)54)39(58)49-37(36(26-13-7-3-8-14-26)27-15-9-4-10-16-27)42(61)46-28(17-19-33(51)52)38(57)47-30(21-25-11-5-2-6-12-25)40(59)48-32(23-64)43(62)63/h3-4,7-10,13-16,25,28-32,36-37,64H,2,5-6,11-12,17-23H2,1H3,(H,44,50)(H,45,60)(H,46,61)(H,47,57)(H,48,59)(H,49,58)(H,51,52)(H,53,54)(H,55,56)(H,62,63)/t28-,29-,30-,31-,32-,37-/m0/s1
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 40n/an/an/an/an/an/an/an/a



IRBM, MRL Rome

Curated by ChEMBL


Assay Description
Inhibition of hepatitis C virus (HCV) NS3/NS4A serine protease

Bioorg Med Chem Lett 12: 701-4 (2002)


BindingDB Entry DOI: 10.7270/Q28P5ZSS
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50015542
PNG
(4-[5-Cyclopentyloxycarbonylamino-1-(2-methoxy-ethy...)
Show SMILES COCCn1cc(Cc2ccc(cc2OC)C(O)=O)c2cc(NC(=O)OC3CCCC3)ccc12
Show InChI InChI=1S/C26H30N2O6/c1-32-12-11-28-16-19(13-17-7-8-18(25(29)30)14-24(17)33-2)22-15-20(9-10-23(22)28)27-26(31)34-21-5-3-4-6-21/h7-10,14-16,21H,3-6,11-13H2,1-2H3,(H,27,31)(H,29,30)
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 41n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50015516
PNG
(4-[6-(2-Cyclopentyl-acetylamino)-indazol-1-ylmethy...)
Show SMILES COc1cc(ccc1Cn1ncc2ccc(NC(=O)CC3CCCC3)cc12)C(O)=O
Show InChI InChI=1S/C23H25N3O4/c1-30-21-11-16(23(28)29)6-7-18(21)14-26-20-12-19(9-8-17(20)13-24-26)25-22(27)10-15-4-2-3-5-15/h6-9,11-13,15H,2-5,10,14H2,1H3,(H,25,27)(H,28,29)
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 50n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227357
PNG
(CHEMBL49981)
Show SMILES COc1cc(ccc1Cc1cn(C2CCCC2)c2ccc(NC(=O)OC3CCCC3)cc12)C(O)=O
Show InChI InChI=1S/C28H32N2O5/c1-34-26-15-19(27(31)32)11-10-18(26)14-20-17-30(22-6-2-3-7-22)25-13-12-21(16-24(20)25)29-28(33)35-23-8-4-5-9-23/h10-13,15-17,22-23H,2-9,14H2,1H3,(H,29,33)(H,31,32)
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 53n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227360
PNG
(CHEMBL50364)
Show SMILES COc1cc(ccc1Cc1cn(CC2CC2)c2ccc(NC(=O)OC3CCCC3)cc12)C(O)=O
Show InChI InChI=1S/C27H30N2O5/c1-33-25-13-19(26(30)31)9-8-18(25)12-20-16-29(15-17-6-7-17)24-11-10-21(14-23(20)24)28-27(32)34-22-4-2-3-5-22/h8-11,13-14,16-17,22H,2-7,12,15H2,1H3,(H,28,32)(H,30,31)
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 57n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50015539
PNG
(4-(5-Cyclopentyloxycarbonylamino-1-propyl-1H-indol...)
Show SMILES CCCn1cc(Cc2ccc(cc2OC)C(O)=O)c2cc(NC(=O)OC3CCCC3)ccc12
Show InChI InChI=1S/C26H30N2O5/c1-3-12-28-16-19(13-17-8-9-18(25(29)30)14-24(17)32-2)22-15-20(10-11-23(22)28)27-26(31)33-21-6-4-5-7-21/h8-11,14-16,21H,3-7,12-13H2,1-2H3,(H,27,31)(H,29,30)
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 58n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227391
PNG
(CHEMBL430967)
Show SMILES COc1cc(ccc1Cc1cn(C2CCCC2)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C34H37N3O6S/c1-42-32-20-24(33(38)36-44(40,41)29-13-3-2-4-14-29)16-15-23(32)19-25-22-37(27-9-5-6-10-27)31-18-17-26(21-30(25)31)35-34(39)43-28-11-7-8-12-28/h2-4,13-18,20-22,27-28H,5-12,19H2,1H3,(H,35,39)(H,36,38)
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 67n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227362
PNG
(CHEMBL300943)
Show SMILES COc1cc(ccc1Cc1cn(Cc2ccccc2)c2ccc(NC(=O)CC3CCCC3)cc12)C(O)=O
Show InChI InChI=1S/C31H32N2O4/c1-37-29-17-24(31(35)36)12-11-23(29)16-25-20-33(19-22-9-3-2-4-10-22)28-14-13-26(18-27(25)28)32-30(34)15-21-7-5-6-8-21/h2-4,9-14,17-18,20-21H,5-8,15-16,19H2,1H3,(H,32,34)(H,35,36)
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 70n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227641
PNG
(CHEMBL297014)
Show SMILES CCn1cc(Cc2ccc(cc2OC)C(O)=O)c2cc(NC(=O)CC3CCCC3)ccc12
Show InChI InChI=1S/C26H30N2O4/c1-3-28-16-20(13-18-8-9-19(26(30)31)14-24(18)32-2)22-15-21(10-11-23(22)28)27-25(29)12-17-6-4-5-7-17/h8-11,14-17H,3-7,12-13H2,1-2H3,(H,27,29)(H,30,31)
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 71n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50015521
PNG
(4-[5-(2-Cyclopentyl-acetylamino)-1-methyl-1H-indol...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(O)=O
Show InChI InChI=1S/C25H28N2O4/c1-27-15-19(12-17-7-8-18(25(29)30)13-23(17)31-2)21-14-20(9-10-22(21)27)26-24(28)11-16-5-3-4-6-16/h7-10,13-16H,3-6,11-12H2,1-2H3,(H,26,28)(H,29,30)
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 80n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50015544
PNG
(4-(6-Cyclopentyloxycarbonylamino-indazol-1-ylmethy...)
Show SMILES COc1cc(ccc1Cn1ncc2ccc(NC(=O)OC3CCCC3)cc12)C(O)=O
Show InChI InChI=1S/C22H23N3O5/c1-29-20-10-14(21(26)27)6-7-16(20)13-25-19-11-17(9-8-15(19)12-23-25)24-22(28)30-18-4-2-3-5-18/h6-12,18H,2-5,13H2,1H3,(H,24,28)(H,26,27)
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 80n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50227639
PNG
(CHEMBL52260)
Show SMILES CCCn1cc(Cc2ccc(cc2OC)C(O)=O)c2cc(NC(=O)CC3CCCC3)ccc12
Show InChI InChI=1S/C27H32N2O4/c1-3-12-29-17-21(14-19-8-9-20(27(31)32)15-25(19)33-2)23-16-22(10-11-24(23)29)28-26(30)13-18-6-4-5-7-18/h8-11,15-18H,3-7,12-14H2,1-2H3,(H,28,30)(H,31,32)
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 84n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.

J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50110123
PNG
(2-[2-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylam...)
Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC=C)C(O)=O
Show InChI InChI=1S/C45H58N6O14/c1-3-13-32(45(64)65)49-42(61)33(24-27-14-7-4-8-15-27)50-40(59)30(20-22-35(53)54)48-44(63)39(38(28-16-9-5-10-17-28)29-18-11-6-12-19-29)51-41(60)31(21-23-36(55)56)47-43(62)34(25-37(57)58)46-26(2)52/h3,5-6,9-12,16-19,27,30-34,38-39H,1,4,7-8,13-15,20-25H2,2H3,(H,46,52)(H,47,62)(H,48,63)(H,49,61)(H,50,59)(H,51,60)(H,53,54)(H,55,56)(H,57,58)(H,64,65)/t30-,31-,32-,33-,34-,39-/m0/s1
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 100n/an/an/an/an/an/an/an/a



IRBM, MRL Rome

Curated by ChEMBL


Assay Description
Inhibition of hepatitis C virus (HCV) NS3/NS4A serine protease

Bioorg Med Chem Lett 12: 701-4 (2002)


BindingDB Entry DOI: 10.7270/Q28P5ZSS
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50150992
PNG
(CHEMBL366279 | {(S)-1-[(2S,4S)-4-Cyclohexyl-2-((S)...)
Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)-c1nnn[nH]1)C1CCCCC1
Show InChI InChI=1S/C34H48F4N8O5/c1-18(2)17-51-34(50)41-29(19(3)4)33(49)46-16-22(20-8-6-5-7-9-20)14-27(46)32(48)40-26(15-28(37)38)31(47)39-11-10-23-24(35)12-21(13-25(23)36)30-42-44-45-43-30/h12-13,18-20,22,26-29H,5-11,14-17H2,1-4H3,(H,39,47)(H,40,48)(H,41,50)(H,42,43,44,45)/t22-,26+,27+,29+/m1/s1
PDB

UniProtKB/TrEMBL

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 100n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease

Bioorg Med Chem Lett 14: 4575-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.093
BindingDB Entry DOI: 10.7270/Q27S7PHC
More data for this
Ligand-Target Pair
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