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Compile Data Set for Download or QSAR

Found 382 hits with Last Name = 'chambers' and Initial = 'r'   
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
Plasma kallikrein


(Homo sapiens (Human))		BDBM50579244
PNG
(Avoralstat | BCX-4161)
Show SMILES COc1cc(c(cc1C=C)C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc(nc1C(O)=O)C(=O)NCC1CC1
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 0.260n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma kallikrein assessed as inhibition constant using H-D-Pro-Phe-Arg-pNA.2HCl as substrate measured after 3 mins by m...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00511
BindingDB Entry DOI: 10.7270/Q29C7288
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50081533
PNG
(CHEMBL96224 | CP-199331 | N-{3-[(3R,4R)-6-(5,6-Dif...)
Show SMILES COc1ccc(NS(=O)(=O)C(F)(F)F)cc1C[C@@H]1COc2ccc(OCc3nc4cc(F)c(F)cc4s3)cc2[C@@H]1O
Show InChI InChI=1S/C26H21F5N2O6S2/c1-37-21-4-2-15(33-41(35,36)26(29,30)31)7-13(21)6-14-11-39-22-5-3-16(8-17(22)25(14)34)38-12-24-32-20-9-18(27)19(28)10-23(20)40-24/h2-5,7-10,14,25,33-34H,6,11-12H2,1H3/t14-,25-/m1/s1
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 0.400n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the binding of Cysteinyl leukotriene receptor 1 to guinea pig lung membranes

Bioorg Med Chem Lett 9: 2773-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MP52G3
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM416926
PNG
((+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)
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 0.440n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma kallikrein assessed as inhibition constant using H-D-Pro-Phe-Arg-pNA.2HCl as substrate measured after 3 mins by m...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00511
BindingDB Entry DOI: 10.7270/Q29C7288
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50081532
PNG
(CHEMBL96206 | CP-199330 | N-{3-[(3R,4R)-6-(7-Chlor...)
Show SMILES COc1ccc(NS(=O)(=O)C(F)(F)F)cc1C[C@@H]1COc2ccc(OCc3ccc4ccc(Cl)cc4n3)cc2[C@@H]1O
Show InChI InChI=1S/C28H24ClF3N2O6S/c1-38-25-8-6-20(34-41(36,37)28(30,31)32)11-17(25)10-18-14-40-26-9-7-22(13-23(26)27(18)35)39-15-21-5-3-16-2-4-19(29)12-24(16)33-21/h2-9,11-13,18,27,34-35H,10,14-15H2,1H3/t18-,27-/m1/s1
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 0.600n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the binding of Cysteinyl leukotriene receptor 1 to guinea pig lung membranes

Bioorg Med Chem Lett 9: 2773-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MP52G3
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50070919
PNG
(C,C,C-Trifluoro-N-{3-[(2R,3S,4R)-6-(5-fluoro-benzo...)
Show SMILES C[C@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@H](O)[C@@H]1Cc1cccc(NS(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C26H22F4N2O5S2/c1-14-19(10-15-3-2-4-17(9-15)32-39(34,35)26(28,29)30)25(33)20-12-18(6-7-22(20)37-14)36-13-24-31-21-11-16(27)5-8-23(21)38-24/h2-9,11-12,14,19,25,32-33H,10,13H2,1H3/t14-,19-,25-/m1/s1
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 0.700n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes

Bioorg Med Chem Lett 8: 3577-82 (1999)


BindingDB Entry DOI: 10.7270/Q2833R5M
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50023198
PNG
(8-[4-(4-phenylbutyloxy)benzoyl]amino-2-(tetrazol-5...)
Show SMILES O=C(Nc1cccc2c1oc(cc2=O)-c1nnn[nH]1)c1ccc(OCCCCc2ccccc2)cc1
Show InChI InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)
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 0.800n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes

Bioorg Med Chem Lett 8: 3577-82 (1999)


BindingDB Entry DOI: 10.7270/Q2833R5M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50023198
PNG
(8-[4-(4-phenylbutyloxy)benzoyl]amino-2-(tetrazol-5...)
Show SMILES O=C(Nc1cccc2c1oc(cc2=O)-c1nnn[nH]1)c1ccc(OCCCCc2ccccc2)cc1
Show InChI InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)
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 0.800n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Ability to antagonize LTD4 receptors isolated from guinea pig lung membranes

Bioorg Med Chem Lett 8: 1791-6 (1998)


BindingDB Entry DOI: 10.7270/Q2N3004B
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50023198
PNG
(8-[4-(4-phenylbutyloxy)benzoyl]amino-2-(tetrazol-5...)
Show SMILES O=C(Nc1cccc2c1oc(cc2=O)-c1nnn[nH]1)c1ccc(OCCCCc2ccccc2)cc1
Show InChI InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)
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 0.800n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the binding of Cysteinyl leukotriene receptor 1 to guinea pig lung membranes

Bioorg Med Chem Lett 9: 2773-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MP52G3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		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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 2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Ability to antagonize LTD4 receptors isolated from guinea pig lung membranes

Bioorg Med Chem Lett 8: 1791-6 (1998)


BindingDB Entry DOI: 10.7270/Q2N3004B
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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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 2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes

Bioorg Med Chem Lett 8: 3577-82 (1999)


BindingDB Entry DOI: 10.7270/Q2833R5M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50073277
PNG
(CHEMBL332680 | N-{3-[(3S,4R)-6-(5,6-Difluoro-benzo...)
Show SMILES COc1ccc(NS(=O)(=O)C(F)(F)F)cc1C[C@H]1[C@@H](O)c2cc(OCc3nc4cc(F)c(F)cc4s3)ccc2OC1(C)C
Show InChI InChI=1S/C28H25F5N2O6S2/c1-27(2)18(9-14-8-15(4-6-22(14)39-3)35-43(37,38)28(31,32)33)26(36)17-10-16(5-7-23(17)41-27)40-13-25-34-21-11-19(29)20(30)12-24(21)42-25/h4-8,10-12,18,26,35-36H,9,13H2,1-3H3/t18-,26-/m0/s1
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 2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes

Bioorg Med Chem Lett 8: 3577-82 (1999)


BindingDB Entry DOI: 10.7270/Q2833R5M
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50070919
PNG
(C,C,C-Trifluoro-N-{3-[(2R,3S,4R)-6-(5-fluoro-benzo...)
Show SMILES C[C@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@H](O)[C@@H]1Cc1cccc(NS(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C26H22F4N2O5S2/c1-14-19(10-15-3-2-4-17(9-15)32-39(34,35)26(28,29)30)25(33)20-12-18(6-7-22(20)37-14)36-13-24-31-21-11-16(27)5-8-23(21)38-24/h2-9,11-12,14,19,25,32-33H,10,13H2,1H3/t14-,19-,25-/m1/s1
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 2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Ability to antagonize LTD4 receptors isolated from guinea pig lung membranes

Bioorg Med Chem Lett 8: 1791-6 (1998)


BindingDB Entry DOI: 10.7270/Q2N3004B
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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 2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the binding of cysLT1 receptor to guinea pig lung membranes.

Bioorg Med Chem Lett 9: 2773-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MP52G3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50070919
PNG
(C,C,C-Trifluoro-N-{3-[(2R,3S,4R)-6-(5-fluoro-benzo...)
Show SMILES C[C@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@H](O)[C@@H]1Cc1cccc(NS(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C26H22F4N2O5S2/c1-14-19(10-15-3-2-4-17(9-15)32-39(34,35)26(28,29)30)25(33)20-12-18(6-7-22(20)37-14)36-13-24-31-21-11-16(27)5-8-23(21)38-24/h2-9,11-12,14,19,25,32-33H,10,13H2,1H3/t14-,19-,25-/m1/s1
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 2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Ability to antagonize LTD4 receptors isolated from guinea pig lung membranes

Bioorg Med Chem Lett 8: 1791-6 (1998)


BindingDB Entry DOI: 10.7270/Q2N3004B
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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 2.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-leukotriene D4 (LTD4) from receptor in guinea pig lung membranes

Bioorg Med Chem Lett 5: 1377-1382 (1995)


Article DOI: 10.1016/0960-894X(95)00227-K
BindingDB Entry DOI: 10.7270/Q2M045D5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50215874
PNG
(CHEMBL52102)
Show SMILES C[C@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@H](O)[C@@H]1Cc1cccc(c1)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C33H29FN2O6S2/c1-19-6-3-4-9-30(19)44(39,40)36-33(38)22-8-5-7-21(14-22)15-25-20(2)42-28-12-11-24(17-26(28)32(25)37)41-18-31-35-27-16-23(34)10-13-29(27)43-31/h3-14,16-17,20,25,32,37H,15,18H2,1-2H3,(H,36,38)/t20-,25-,32-/m1/s1
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 3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Ability to antagonize LTD4 receptors isolated from guinea pig lung membranes

Bioorg Med Chem Lett 8: 1791-6 (1998)


BindingDB Entry DOI: 10.7270/Q2N3004B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50073279
PNG
(CHEMBL119214 | N-{3-[(3S,4R)-6-(7-Chloro-quinolin-...)
Show SMILES COc1ccc(NS(=O)(=O)C(F)(F)F)cc1C[C@H]1[C@@H](O)c2cc(OCc3ccc4ccc(Cl)cc4n3)ccc2OC1(C)C
Show InChI InChI=1S/C30H28ClF3N2O6S/c1-29(2)24(13-18-12-20(8-10-26(18)40-3)36-43(38,39)30(32,33)34)28(37)23-15-22(9-11-27(23)42-29)41-16-21-7-5-17-4-6-19(31)14-25(17)35-21/h4-12,14-15,24,28,36-37H,13,16H2,1-3H3/t24-,28-/m0/s1
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 4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes

Bioorg Med Chem Lett 8: 3577-82 (1999)


BindingDB Entry DOI: 10.7270/Q2833R5M
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50073276
PNG
(CHEMBL120200 | N-{4-Chloro-3-[(3S,4R)-6-(5,6-diflu...)
Show SMILES CC1(C)Oc2ccc(OCc3nc4cc(F)c(F)cc4s3)cc2[C@H](O)[C@@H]1Cc1cc(NS(=O)(=O)C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C27H22ClF5N2O5S2/c1-26(2)17(8-13-7-14(3-5-18(13)28)35-42(37,38)27(31,32)33)25(36)16-9-15(4-6-22(16)40-26)39-12-24-34-21-10-19(29)20(30)11-23(21)41-24/h3-7,9-11,17,25,35-36H,8,12H2,1-2H3/t17-,25-/m0/s1
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 4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes

Bioorg Med Chem Lett 8: 3577-82 (1999)


BindingDB Entry DOI: 10.7270/Q2833R5M
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)		BDBM50004633
PNG
((S)-4-(2-Chloro-phenyl)-6-methyl-2-[4-(2-methyl-im...)
Show SMILES CCOC(=O)C1=C(N=C(C)C(C1c1ccccc1Cl)C(=O)Nc1ccccn1)c1ccc(cc1)-n1c(C)nc2cnccc12 |t:5,7|
Show InChI InChI=1S/C34H29ClN6O3/c1-4-44-34(43)31-30(24-9-5-6-10-25(24)35)29(33(42)40-28-11-7-8-17-37-28)20(2)38-32(31)22-12-14-23(15-13-22)41-21(3)39-26-19-36-18-16-27(26)41/h5-19,29-30H,4H2,1-3H3,(H,37,40,42)
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 5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-ligand from platelet activating factor (PAF) receptor in rabbit platelets

Bioorg Med Chem Lett 5: 1377-1382 (1995)


Article DOI: 10.1016/0960-894X(95)00227-K
BindingDB Entry DOI: 10.7270/Q2M045D5
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50073275
PNG
(CHEMBL331884 | N-(3-{(3S,4R)-6-[(E)-2-(7-Chloro-qu...)
Show SMILES COc1ccc(NS(=O)(=O)C(F)(F)F)cc1C[C@H]1[C@@H](O)c2cc(\C=C\c3ccc4ccc(Cl)cc4n3)ccc2OC1(C)C
Show InChI InChI=1S/C31H28ClF3N2O5S/c1-30(2)25(16-20-15-23(11-13-27(20)41-3)37-43(39,40)31(33,34)35)29(38)24-14-18(5-12-28(24)42-30)4-9-22-10-7-19-6-8-21(32)17-26(19)36-22/h4-15,17,25,29,37-38H,16H2,1-3H3/b9-4+/t25-,29-/m0/s1
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 5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes

Bioorg Med Chem Lett 8: 3577-82 (1999)


BindingDB Entry DOI: 10.7270/Q2833R5M
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50073278
PNG
(CHEMBL331747 | N-{3-[(3S,4R)-6-(5,6-Difluoro-benzo...)
Show SMILES CC1(C)Oc2ccc(OCc3nc4cc(F)c(F)cc4s3)cc2[C@H](O)[C@@H]1Cc1cccc(NS(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C27H23F5N2O5S2/c1-26(2)18(9-14-4-3-5-15(8-14)34-41(36,37)27(30,31)32)25(35)17-10-16(6-7-22(17)39-26)38-13-24-33-21-11-19(28)20(29)12-23(21)40-24/h3-8,10-12,18,25,34-35H,9,13H2,1-2H3/t18-,25-/m0/s1
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 7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes

Bioorg Med Chem Lett 8: 3577-82 (1999)


BindingDB Entry DOI: 10.7270/Q2833R5M
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50070921
PNG
(3-[(3R,4R)-6-(5-Fluoro-benzothiazol-2-ylmethoxy)-4...)
Show SMILES O[C@@H]1[C@H](Cc2cccc(c2)C(O)=O)COc2ccc(OCc3nc4cc(F)ccc4s3)cc12
Show InChI InChI=1S/C25H20FNO5S/c26-17-4-7-22-20(10-17)27-23(33-22)13-31-18-5-6-21-19(11-18)24(28)16(12-32-21)9-14-2-1-3-15(8-14)25(29)30/h1-8,10-11,16,24,28H,9,12-13H2,(H,29,30)/t16-,24-/m1/s1
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 14n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes

Bioorg Med Chem Lett 8: 3577-82 (1999)


BindingDB Entry DOI: 10.7270/Q2833R5M
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50070921
PNG
(3-[(3R,4R)-6-(5-Fluoro-benzothiazol-2-ylmethoxy)-4...)
Show SMILES O[C@@H]1[C@H](Cc2cccc(c2)C(O)=O)COc2ccc(OCc3nc4cc(F)ccc4s3)cc12
Show InChI InChI=1S/C25H20FNO5S/c26-17-4-7-22-20(10-17)27-23(33-22)13-31-18-5-6-21-19(11-18)24(28)16(12-32-21)9-14-2-1-3-15(8-14)25(29)30/h1-8,10-11,16,24,28H,9,12-13H2,(H,29,30)/t16-,24-/m1/s1
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 14n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Ability to antagonize LTD4 receptors isolated from guinea pig lung membranes

Bioorg Med Chem Lett 8: 1791-6 (1998)


BindingDB Entry DOI: 10.7270/Q2N3004B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50215871
PNG
(CHEMBL415954)
Show SMILES C[C@@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@@H](O)[C@H]1Cc1cccc(NS(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C26H22F4N2O5S2/c1-14-19(10-15-3-2-4-17(9-15)32-39(34,35)26(28,29)30)25(33)20-12-18(6-7-22(20)37-14)36-13-24-31-21-11-16(27)5-8-23(21)38-24/h2-9,11-12,14,19,25,32-33H,10,13H2,1H3/t14-,19-,25-/m0/s1
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 19n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Ability to antagonize LTD4 receptors isolated from guinea pig lung membranes

Bioorg Med Chem Lett 8: 1791-6 (1998)


BindingDB Entry DOI: 10.7270/Q2N3004B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50284689
PNG
(7-Chloro-2-((E)-2-{3-[4-(2-methyl-imidazo[4,5-c]py...)
Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3ccc4ccc(Cl)cc4n3)c2)cc1
Show InChI InChI=1S/C31H23ClN4O/c1-21-34-30-19-33-16-15-31(30)36(21)27-11-13-28(14-12-27)37-20-23-4-2-3-22(17-23)5-9-26-10-7-24-6-8-25(32)18-29(24)35-26/h2-19H,20H2,1H3/b9-5+
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 20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 from receptor in guinea pig lung membranes

Bioorg Med Chem Lett 5: 1377-1382 (1995)


Article DOI: 10.1016/0960-894X(95)00227-K
BindingDB Entry DOI: 10.7270/Q2M045D5
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)		BDBM50284689
PNG
(7-Chloro-2-((E)-2-{3-[4-(2-methyl-imidazo[4,5-c]py...)
Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3ccc4ccc(Cl)cc4n3)c2)cc1
Show InChI InChI=1S/C31H23ClN4O/c1-21-34-30-19-33-16-15-31(30)36(21)27-11-13-28(14-12-27)37-20-23-4-2-3-22(17-23)5-9-26-10-7-24-6-8-25(32)18-29(24)35-26/h2-19H,20H2,1H3/b9-5+
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 24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-ligand from platelet activating factor (PAF) receptor in rabbit platelets

Bioorg Med Chem Lett 5: 1377-1382 (1995)


Article DOI: 10.1016/0960-894X(95)00227-K
BindingDB Entry DOI: 10.7270/Q2M045D5
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50215875
PNG
(CHEMBL299779)
Show SMILES [H][C@]1(C)Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@]([H])(O)[C@@H]1Cc1cccc(c1)C(O)=O
Show InChI InChI=1S/C26H22FNO5S/c1-14-19(10-15-3-2-4-16(9-15)26(30)31)25(29)20-12-18(6-7-22(20)33-14)32-13-24-28-21-11-17(27)5-8-23(21)34-24/h2-9,11-12,14,19,25,29H,10,13H2,1H3,(H,30,31)/t14-,19-,25-/m1/s1
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 27n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Ability to antagonize LTD4 receptors isolated from guinea pig lung membranes

Bioorg Med Chem Lett 8: 1791-6 (1998)


BindingDB Entry DOI: 10.7270/Q2N3004B
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)		BDBM50284691
PNG
(2-(2-{3-[4-(2-Methyl-imidazo[4,5-c]pyridin-1-yl)-p...)
Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3ccc4ccccc4n3)c2)cc1
Show InChI InChI=1S/C31H24N4O/c1-22-33-30-20-32-18-17-31(30)35(22)27-13-15-28(16-14-27)36-21-24-6-4-5-23(19-24)9-11-26-12-10-25-7-2-3-8-29(25)34-26/h2-20H,21H2,1H3/b11-9+
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 29n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-ligand from platelet activating factor (PAF) receptor in rabbit platelets

Bioorg Med Chem Lett 5: 1377-1382 (1995)


Article DOI: 10.1016/0960-894X(95)00227-K
BindingDB Entry DOI: 10.7270/Q2M045D5
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50284690
PNG
(1-(4-{3-[(E)-2-(5-Fluoro-benzothiazol-2-yl)-vinyl]...)
Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1
Show InChI InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3/b12-5+
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 34n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-leukotriene D4 (LTD4) from receptor in guinea pig lung membranes

Bioorg Med Chem Lett 5: 1377-1382 (1995)


Article DOI: 10.1016/0960-894X(95)00227-K
BindingDB Entry DOI: 10.7270/Q2M045D5
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)		BDBM50284690
PNG
(1-(4-{3-[(E)-2-(5-Fluoro-benzothiazol-2-yl)-vinyl]...)
Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1
Show InChI InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3/b12-5+
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 37n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-ligand from platelet activating factor (PAF) receptor in rabbit platelets

Bioorg Med Chem Lett 5: 1377-1382 (1995)


Article DOI: 10.1016/0960-894X(95)00227-K
BindingDB Entry DOI: 10.7270/Q2M045D5
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50284691
PNG
(2-(2-{3-[4-(2-Methyl-imidazo[4,5-c]pyridin-1-yl)-p...)
Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3ccc4ccccc4n3)c2)cc1
Show InChI InChI=1S/C31H24N4O/c1-22-33-30-20-32-18-17-31(30)35(22)27-13-15-28(16-14-27)36-21-24-6-4-5-23(19-24)9-11-26-12-10-25-7-2-3-8-29(25)34-26/h2-20H,21H2,1H3/b11-9+
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 73n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-leukotriene D4 (LTD4) from receptor in guinea pig lung membranes

Bioorg Med Chem Lett 5: 1377-1382 (1995)


Article DOI: 10.1016/0960-894X(95)00227-K
BindingDB Entry DOI: 10.7270/Q2M045D5
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50215872
PNG
(CHEMBL50399)
Show SMILES [H][C@@]1(C)Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@]([H])(O)[C@@H]1Cc1cccc(c1)C(O)=O
Show InChI InChI=1S/C26H22FNO5S/c1-14-19(10-15-3-2-4-16(9-15)26(30)31)25(29)20-12-18(6-7-22(20)33-14)32-13-24-28-21-11-17(27)5-8-23(21)34-24/h2-9,11-12,14,19,25,29H,10,13H2,1H3,(H,30,31)/t14-,19+,25+/m0/s1
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 92n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Ability to antagonize LTD4 receptors isolated from guinea pig lung membranes

Bioorg Med Chem Lett 8: 1791-6 (1998)


BindingDB Entry DOI: 10.7270/Q2N3004B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50215873
PNG
(CHEMBL297906)
Show SMILES [H][C@]1(C)Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@@]([H])(O)[C@@H]1Cc1cccc(c1)C(O)=O
Show InChI InChI=1S/C26H22FNO5S/c1-14-19(10-15-3-2-4-16(9-15)26(30)31)25(29)20-12-18(6-7-22(20)33-14)32-13-24-28-21-11-17(27)5-8-23(21)34-24/h2-9,11-12,14,19,25,29H,10,13H2,1H3,(H,30,31)/t14-,19-,25+/m1/s1
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 434n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Ability to antagonize LTD4 receptors isolated from guinea pig lung membranes

Bioorg Med Chem Lett 8: 1791-6 (1998)


BindingDB Entry DOI: 10.7270/Q2N3004B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50284680
PNG
((3S,4S)-3-Pyridin-3-ylmethyl-6-(quinolin-2-ylmetho...)
Show SMILES O[C@H]1[C@@H](Cc2cccnc2)COc2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C25H22N2O3/c28-25-19(12-17-4-3-11-26-14-17)15-30-24-10-9-21(13-22(24)25)29-16-20-8-7-18-5-1-2-6-23(18)27-20/h1-11,13-14,19,25,28H,12,15-16H2/t19-,25-/m0/s1
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 650n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTD4 binding to LTD4 receptor in guinea pig lung membranes

Bioorg Med Chem Lett 5: 1365-1370 (1995)


Article DOI: 10.1016/0960-894X(95)00225-I
BindingDB Entry DOI: 10.7270/Q2VH5NSM
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50284682
PNG
(2-Benzyl-7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahyd...)
Show SMILES O[C@H]1[C@H](Cc2ccccc2)CCc2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C27H25NO2/c29-27-22(16-19-6-2-1-3-7-19)11-10-20-13-15-24(17-25(20)27)30-18-23-14-12-21-8-4-5-9-26(21)28-23/h1-9,12-15,17,22,27,29H,10-11,16,18H2/t22-,27-/m0/s1
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 1.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTD4 binding to LTD4 receptor in guinea pig lung membranes

Bioorg Med Chem Lett 5: 1365-1370 (1995)


Article DOI: 10.1016/0960-894X(95)00225-I
BindingDB Entry DOI: 10.7270/Q2VH5NSM
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50284681
PNG
(2-Butyl-7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydr...)
Show SMILES CCCCC1CCc2ccc(OCc3ccc4ccccc4n3)cc2C1O
Show InChI InChI=1S/C24H27NO2/c1-2-3-6-19-10-9-17-12-14-21(15-22(17)24(19)26)27-16-20-13-11-18-7-4-5-8-23(18)25-20/h4-5,7-8,11-15,19,24,26H,2-3,6,9-10,16H2,1H3
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 6.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTD4 binding to LTD4 receptor in guinea pig lung membranes

Bioorg Med Chem Lett 5: 1365-1370 (1995)


Article DOI: 10.1016/0960-894X(95)00225-I
BindingDB Entry DOI: 10.7270/Q2VH5NSM
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50012434
PNG
((REV-5,901)1-[3-(Quinolin-2-ylmethoxy)-phenyl]-hex...)
Show SMILES CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3
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 8.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTD4 binding to LTD4 receptor in guinea pig lung membranes

Bioorg Med Chem Lett 5: 1365-1370 (1995)


Article DOI: 10.1016/0960-894X(95)00225-I
BindingDB Entry DOI: 10.7270/Q2VH5NSM
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50070921
PNG
(3-[(3R,4R)-6-(5-Fluoro-benzothiazol-2-ylmethoxy)-4...)
Show SMILES O[C@@H]1[C@H](Cc2cccc(c2)C(O)=O)COc2ccc(OCc3nc4cc(F)ccc4s3)cc12
Show InChI InChI=1S/C25H20FNO5S/c26-17-4-7-22-20(10-17)27-23(33-22)13-31-18-5-6-21-19(11-18)24(28)16(12-32-21)9-14-2-1-3-15(8-14)25(29)30/h1-8,10-11,16,24,28H,9,12-13H2,(H,29,30)/t16-,24-/m1/s1
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 2.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTD4 binding to LTD4 receptor in guinea pig lung membranes

Bioorg Med Chem Lett 5: 1365-1370 (1995)


Article DOI: 10.1016/0960-894X(95)00225-I
BindingDB Entry DOI: 10.7270/Q2VH5NSM
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50004633
PNG
((S)-4-(2-Chloro-phenyl)-6-methyl-2-[4-(2-methyl-im...)
Show SMILES CCOC(=O)C1=C(N=C(C)C(C1c1ccccc1Cl)C(=O)Nc1ccccn1)c1ccc(cc1)-n1c(C)nc2cnccc12 |t:5,7|
Show InChI InChI=1S/C34H29ClN6O3/c1-4-44-34(43)31-30(24-9-5-6-10-25(24)35)29(33(42)40-28-11-7-8-17-37-28)20(2)38-32(31)22-12-14-23(15-13-22)41-21(3)39-26-19-36-18-16-27(26)41/h5-19,29-30H,4H2,1-3H3,(H,37,40,42)
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>3.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-leukotriene D4 (LTD4) from receptor in guinea pig lung membranes

Bioorg Med Chem Lett 5: 1377-1382 (1995)


Article DOI: 10.1016/0960-894X(95)00227-K
BindingDB Entry DOI: 10.7270/Q2M045D5
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)		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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>5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-ligand from platelet activating factor (PAF) receptor in rabbit platelets

Bioorg Med Chem Lett 5: 1377-1382 (1995)


Article DOI: 10.1016/0960-894X(95)00227-K
BindingDB Entry DOI: 10.7270/Q2M045D5
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50282990
PNG
(CHEMBL59973 | Morpholine-4-carboxylic acid ((S)-1-...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)P1(=O)OCCCO1
Show InChI InChI=1S/C30H47N4O8PS/c1-44-21-26(28(36)31-25(20-23-11-6-3-7-12-23)29(37)43(39)41-15-8-16-42-43)32-27(35)24(19-22-9-4-2-5-10-22)33-30(38)34-13-17-40-18-14-34/h2,4-5,9-10,23-26,29,37H,3,6-8,11-21H2,1H3,(H,31,36)(H,32,35)(H,33,38)/t24-,25-,26-,29-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of human plasma renin(Hu Renin)

Bioorg Med Chem Lett 4: 2005-2010 (1994)


Article DOI: 10.1016/S0960-894X(01)80553-9
BindingDB Entry DOI: 10.7270/Q20V8CQ7
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50104526
PNG
(3-[2-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1ncc(CCC(O)=O)s1
Show InChI InChI=1S/C27H32N4O4S/c1-17(2)14-23(26-28-16-21(36-26)12-13-25(33)34)30-24(32)15-19-8-10-20(11-9-19)29-27(35)31-22-7-5-4-6-18(22)3/h4-11,16-17,23H,12-15H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t23-/m0/s1
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n/an/a 0.25n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA

Bioorg Med Chem Lett 11: 2593-6 (2001)


BindingDB Entry DOI: 10.7270/Q2H41SQZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50282993
PNG
((2S,4R)-4-Cyclohexyl-2-hydroxy-3-((R)-3-methylsulf...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C
Show InChI InChI=1S/C31H48N4O7S/c1-21(2)42-30(39)27(36)24(18-22-10-6-4-7-11-22)32-29(38)26(20-43-3)33-28(37)25(19-23-12-8-5-9-13-23)34-31(40)35-14-16-41-17-15-35/h5,8-9,12-13,21-22,24-27,36H,4,6-7,10-11,14-20H2,1-3H3,(H,32,38)(H,33,37)(H,34,40)/t24-,25-,26-,27+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of monkey plasma renin

Bioorg Med Chem Lett 4: 2005-2010 (1994)


Article DOI: 10.1016/S0960-894X(01)80553-9
BindingDB Entry DOI: 10.7270/Q20V8CQ7
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50071637
PNG
(CHEMBL79366 | {1-Dimethylcarbamoyl-3-[2-methoxy-4-...)
Show SMILES COc1cc(ccc1Cc1cn(C(=O)N(C)C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C33H36N4O7S/c1-21-9-5-8-12-30(21)45(41,42)35-31(38)23-14-13-22(29(18-23)43-4)17-24-20-37(33(40)36(2)3)28-16-15-25(19-27(24)28)34-32(39)44-26-10-6-7-11-26/h5,8-9,12-16,18-20,26H,6-7,10-11,17H2,1-4H3,(H,34,39)(H,35,38)
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against leukotriene D4 receptor in [3H]-LTD4 binding assay

Bioorg Med Chem Lett 8: 2451-6 (1999)


BindingDB Entry DOI: 10.7270/Q2X63M30
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50071633
PNG
(CHEMBL83166 | [3-[2-Methoxy-4-(toluene-2-sulfonyla...)
Show SMILES COc1cc(ccc1Cc1cn(C(=O)N2CCOCC2)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C35H38N4O8S/c1-23-7-3-6-10-32(23)48(43,44)37-33(40)25-12-11-24(31(20-25)45-2)19-26-22-39(35(42)38-15-17-46-18-16-38)30-14-13-27(21-29(26)30)36-34(41)47-28-8-4-5-9-28/h3,6-7,10-14,20-22,28H,4-5,8-9,15-19H2,1-2H3,(H,36,41)(H,37,40)
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against leukotriene D4 receptor in [3H]-LTD4 binding assay

Bioorg Med Chem Lett 8: 2451-6 (1999)


BindingDB Entry DOI: 10.7270/Q2X63M30
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50071631
PNG
(CHEMBL79952 | [3-[2-Methoxy-4-(toluene-2-sulfonyla...)
Show SMILES COc1cc(ccc1Cc1cn(C(=O)N(C)c2ccccc2)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C38H38N4O7S/c1-25-11-7-10-16-35(25)50(46,47)40-36(43)27-18-17-26(34(22-27)48-3)21-28-24-42(38(45)41(2)30-12-5-4-6-13-30)33-20-19-29(23-32(28)33)39-37(44)49-31-14-8-9-15-31/h4-7,10-13,16-20,22-24,31H,8-9,14-15,21H2,1-3H3,(H,39,44)(H,40,43)
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against leukotriene D4 receptor in [3H]-LTD4 binding assay

Bioorg Med Chem Lett 8: 2451-6 (1999)


BindingDB Entry DOI: 10.7270/Q2X63M30
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50071632
PNG
(CHEMBL310446 | {1-Diethylcarbamoyl-3-[2-methoxy-4-...)
Show SMILES CCN(CC)C(=O)n1cc(Cc2ccc(cc2OC)C(=O)NS(=O)(=O)c2ccccc2C)c2cc(NC(=O)OC3CCCC3)ccc12
Show InChI InChI=1S/C35H40N4O7S/c1-5-38(6-2)35(42)39-22-26(29-21-27(17-18-30(29)39)36-34(41)46-28-12-8-9-13-28)19-24-15-16-25(20-31(24)45-4)33(40)37-47(43,44)32-14-10-7-11-23(32)3/h7,10-11,14-18,20-22,28H,5-6,8-9,12-13,19H2,1-4H3,(H,36,41)(H,37,40)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against leukotriene D4 receptor in [3H]-LTD4 binding assay

Bioorg Med Chem Lett 8: 2451-6 (1999)


BindingDB Entry DOI: 10.7270/Q2X63M30
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50071636
PNG
(CHEMBL79479 | {1-(2-Dimethylamino-ethylcarbamoyl)-...)
Show SMILES COc1cc(ccc1Cc1cn(C(=O)NCCN(C)C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C35H41N5O7S/c1-23-9-5-8-12-32(23)48(44,45)38-33(41)25-14-13-24(31(20-25)46-4)19-26-22-40(34(42)36-17-18-39(2)3)30-16-15-27(21-29(26)30)37-35(43)47-28-10-6-7-11-28/h5,8-9,12-16,20-22,28H,6-7,10-11,17-19H2,1-4H3,(H,36,42)(H,37,43)(H,38,41)
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Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against leukotriene D4 receptor in [3H]-LTD4 binding assay

Bioorg Med Chem Lett 8: 2451-6 (1999)


BindingDB Entry DOI: 10.7270/Q2X63M30
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50282993
PNG
((2S,4R)-4-Cyclohexyl-2-hydroxy-3-((R)-3-methylsulf...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C
Show InChI InChI=1S/C31H48N4O7S/c1-21(2)42-30(39)27(36)24(18-22-10-6-4-7-11-22)32-29(38)26(20-43-3)33-28(37)25(19-23-12-8-5-9-13-23)34-31(40)35-14-16-41-17-15-35/h5,8-9,12-13,21-22,24-27,36H,4,6-7,10-11,14-20H2,1-3H3,(H,32,38)(H,33,37)(H,34,40)/t24-,25-,26-,27+/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of monkey plasma renin

Bioorg Med Chem Lett 4: 2005-2010 (1994)


Article DOI: 10.1016/S0960-894X(01)80553-9
BindingDB Entry DOI: 10.7270/Q20V8CQ7
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50282993
PNG
((2S,4R)-4-Cyclohexyl-2-hydroxy-3-((R)-3-methylsulf...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C
Show InChI InChI=1S/C31H48N4O7S/c1-21(2)42-30(39)27(36)24(18-22-10-6-4-7-11-22)32-29(38)26(20-43-3)33-28(37)25(19-23-12-8-5-9-13-23)34-31(40)35-14-16-41-17-15-35/h5,8-9,12-13,21-22,24-27,36H,4,6-7,10-11,14-20H2,1-3H3,(H,32,38)(H,33,37)(H,34,40)/t24-,25-,26-,27+/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of guinea pig plasma renin

Bioorg Med Chem Lett 4: 2005-2010 (1994)


Article DOI: 10.1016/S0960-894X(01)80553-9
BindingDB Entry DOI: 10.7270/Q20V8CQ7
More data for this
Ligand-Target Pair
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