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PubMed code 18809326

Compile data set for download or QSAR
Found 36 hits of Enzyme Inhibition Constant Data   
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
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275728
PNG
(CHEMBL486749 | N-(4-chlorophenethyl)-2-isobutyl-N-...)
Show SMILES CC(C)Cc1ccccc1C(=O)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2
Show InChI InChI=1S/C27H34ClNO3/c1-20(2)19-22-5-3-4-6-25(22)26(30)29(16-13-21-7-9-23(28)10-8-21)24-11-14-27(15-12-24)31-17-18-32-27/h3-10,20,24H,11-19H2,1-2H3
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275896
PNG
(CHEMBL471017 | ethyl 2-(N-(1,4-dioxaspiro[4.5]deca...)
Show SMILES CCOC(=O)C(Cc1ccc(Cl)cc1)N(C1CCC2(CC1)OCCO2)C(=O)c1csc2ccccc12
Show InChI InChI=1S/C28H30ClNO5S/c1-2-33-27(32)24(17-19-7-9-20(29)10-8-19)30(21-11-13-28(14-12-21)34-15-16-35-28)26(31)23-18-36-25-6-4-3-5-22(23)25/h3-10,18,21,24H,2,11-17H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275644
PNG
(CHEMBL520715 | cis-N-(4-chlorophenethyl)-N-(1-oxas...)
Show SMILES Clc1ccc(CCN([C@H]2CC[C@]3(CCCO3)CC2)C(=O)c2csc3ccccc23)cc1 |r,wU:8.7,11.15,(27.33,-18.63,;26,-19.41,;26.01,-20.95,;24.68,-21.72,;23.35,-20.95,;22.02,-21.73,;20.68,-20.96,;19.35,-21.74,;19.36,-23.28,;20.69,-24.03,;20.69,-25.58,;19.35,-26.35,;20.49,-27.38,;19.86,-28.79,;18.33,-28.62,;18.01,-27.11,;18.02,-25.58,;18.02,-24.04,;18.02,-20.97,;18.01,-19.43,;16.69,-21.74,;16.53,-23.27,;15.03,-23.6,;14.25,-22.27,;12.75,-21.96,;12.27,-20.48,;13.3,-19.34,;14.81,-19.66,;15.29,-21.12,;23.33,-19.42,;24.66,-18.64,)|
Show InChI InChI=1S/C26H28ClNO2S/c27-20-8-6-19(7-9-20)12-16-28(21-10-14-26(15-11-21)13-3-17-30-26)25(29)23-18-31-24-5-2-1-4-22(23)24/h1-2,4-9,18,21H,3,10-17H2/t21-,26+
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275729
PNG
(CHEMBL486953 | N-(4-chlorophenethyl)-2-ethyl-N-(1,...)
Show SMILES CCc1ccccc1C(=O)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2
Show InChI InChI=1S/C25H30ClNO3/c1-2-20-5-3-4-6-23(20)24(28)27(16-13-19-7-9-21(26)10-8-19)22-11-14-25(15-12-22)29-17-18-30-25/h3-10,22H,2,11-18H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50266070
PNG
(4-(N-(4-chlorophenethyl)benzo[b]thiophene-3-carbox...)
Show SMILES Fc1ccc(NC(=O)N2CCC(CC2)N(CCc2ccc(Cl)cc2)C(=O)c2csc3ccccc23)c(F)c1
Show InChI InChI=1S/C29H26ClF2N3O2S/c30-20-7-5-19(6-8-20)11-16-35(28(36)24-18-38-27-4-2-1-3-23(24)27)22-12-14-34(15-13-22)29(37)33-26-10-9-21(31)17-25(26)32/h1-10,17-18,22H,11-16H2,(H,33,37)
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n/an/a 31n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275779
PNG
(CHEMBL471210 | N-(2-(4-chlorophenyl)propyl)-N-(1,4...)
Show SMILES CC(CN(C1CCC2(CC1)OCCO2)C(=O)c1csc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H28ClNO3S/c1-18(19-6-8-20(27)9-7-19)16-28(21-10-12-26(13-11-21)30-14-15-31-26)25(29)23-17-32-24-5-3-2-4-22(23)24/h2-9,17-18,21H,10-16H2,1H3
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n/an/a 35n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275573
PNG
(CHEMBL487167 | trans-N-(4-chlorophenethyl)-N-4-hyd...)
Show SMILES O[C@H]1CC[C@@H](CC1)N(CCc1ccc(Cl)cc1)C(=O)c1csc2ccccc12 |r,wU:4.7,wD:1.0,(.33,-50.89,;.33,-49.35,;1.66,-48.58,;1.66,-47.03,;.33,-46.28,;-1.01,-47.04,;-1,-48.58,;.33,-44.74,;1.66,-43.96,;3,-44.73,;4.33,-43.95,;5.65,-44.72,;6.98,-43.95,;6.98,-42.4,;8.31,-41.63,;5.63,-41.64,;4.31,-42.42,;-1.01,-43.97,;-1.01,-42.43,;-2.34,-44.74,;-2.49,-46.27,;-4,-46.6,;-4.77,-45.27,;-6.28,-44.96,;-6.75,-43.48,;-5.72,-42.33,;-4.21,-42.66,;-3.74,-44.12,)|
Show InChI InChI=1S/C23H24ClNO2S/c24-17-7-5-16(6-8-17)13-14-25(18-9-11-19(26)12-10-18)23(27)21-15-28-22-4-2-1-3-20(21)22/h1-8,15,18-19,26H,9-14H2/t18-,19-
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n/an/a 70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275605
PNG
(CHEMBL519540 | N-(4-chlorophenethyl)-N-(1,4-dioxas...)
Show SMILES Clc1ccc(CCN(C2CCC3(CC2)OCCO3)C(=O)c2csc3ccccc23)cc1
Show InChI InChI=1S/C25H26ClNO3S/c26-19-7-5-18(6-8-19)11-14-27(20-9-12-25(13-10-20)29-15-16-30-25)24(28)22-17-31-23-4-2-1-3-21(22)23/h1-8,17,20H,9-16H2
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n/an/a 75n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275683
PNG
(CHEMBL488388 | N-(4-chlorophenethyl)-N-(1,4-dioxas...)
Show SMILES Clc1ccc(CCN(C2CCC3(CC2)OCCO3)C(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C27H28ClNO3/c28-22-10-8-20(9-11-22)14-17-29(23-12-15-27(16-13-23)31-18-19-32-27)26(30)25-7-3-5-21-4-1-2-6-24(21)25/h1-11,23H,12-19H2
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n/an/a 80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275897
PNG
(CHEMBL471018 | methyl 2-(N-(1,4-dioxaspiro[4.5]dec...)
Show SMILES COC(=O)C(CC1CCCCC1)N(C1CCC2(CC1)OCCO2)C(=O)c1csc2ccccc12
Show InChI InChI=1S/C27H35NO5S/c1-31-26(30)23(17-19-7-3-2-4-8-19)28(20-11-13-27(14-12-20)32-15-16-33-27)25(29)22-18-34-24-10-6-5-9-21(22)24/h5-6,9-10,18-20,23H,2-4,7-8,11-17H2,1H3
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n/an/a 89n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275834
PNG
(CHEMBL469527 | N-(2-(4-chlorophenyl)-2-methylpropy...)
Show SMILES CC(C)(CN(C1CCC2(CC1)OCCO2)C(=O)c1csc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H30ClNO3S/c1-26(2,19-7-9-20(28)10-8-19)18-29(21-11-13-27(14-12-21)31-15-16-32-27)25(30)23-17-33-24-6-4-3-5-22(23)24/h3-10,17,21H,11-16,18H2,1-2H3
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n/an/a 90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275777
PNG
(CHEMBL471009 | N-(4-chlorophenethyl)-N-(1,4-dioxas...)
Show SMILES Clc1ccc(CCN(C2CCC3(CC2)OCCO3)C(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C26H27ClN2O3/c27-21-6-4-19(5-7-21)11-15-29(22-8-12-26(13-9-22)31-16-17-32-26)25(30)24-3-1-2-20-18-28-14-10-23(20)24/h1-7,10,14,18,22H,8-9,11-13,15-17H2
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n/an/a 110n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50266071
PNG
(CHEMBL518254 | N-(4-chlorophenethyl)-N-((1r,4r)-4-...)
Show SMILES O[C@H]1CC[C@@H](CC1)N(CCc1ccc(Cl)cc1)C(=O)c1cccc2ccccc12 |r,wU:4.7,wD:1.0,(-1.65,-4.13,;-1.64,-2.59,;-.31,-1.82,;-.3,-.27,;-1.63,.49,;-2.97,-.28,;-2.97,-1.81,;-1.64,2.03,;-.3,2.8,;1.03,2.04,;2.36,2.81,;3.69,2.04,;5.02,2.81,;5.02,4.35,;6.35,5.12,;3.68,5.12,;2.35,4.34,;-2.97,2.8,;-2.97,4.34,;-4.3,2.03,;-4.3,.49,;-5.64,-.28,;-6.97,.49,;-6.97,2.03,;-8.3,2.8,;-8.3,4.34,;-6.97,5.11,;-5.64,4.35,;-5.63,2.8,)|
Show InChI InChI=1S/C25H26ClNO2/c26-20-10-8-18(9-11-20)16-17-27(21-12-14-22(28)15-13-21)25(29)24-7-3-5-19-4-1-2-6-23(19)24/h1-11,21-22,28H,12-17H2/t21-,22-
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n/an/a 125n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275727
PNG
(CHEMBL486748 | N-(4-chlorophenethyl)-2-(methoxymet...)
Show SMILES COCc1ccccc1C(=O)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2
Show InChI InChI=1S/C25H30ClNO4/c1-29-18-20-4-2-3-5-23(20)24(28)27(15-12-19-6-8-21(26)9-7-19)22-10-13-25(14-11-22)30-16-17-31-25/h2-9,22H,10-18H2,1H3
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n/an/a 175n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275608
PNG
(CHEMBL485769 | N-(4-chlorophenethyl)-N-cyclohexylb...)
Show SMILES Clc1ccc(CCN(C2CCCCC2)C(=O)c2csc3ccccc23)cc1
Show InChI InChI=1S/C23H24ClNOS/c24-18-12-10-17(11-13-18)14-15-25(19-6-2-1-3-7-19)23(26)21-16-27-22-9-5-4-8-20(21)22/h4-5,8-13,16,19H,1-3,6-7,14-15H2
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n/an/a 175n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275645
PNG
(CHEMBL487141 | trans-N-(4-chlorophenethyl)-N-(1-ox...)
Show SMILES Clc1ccc(CCN([C@H]2CC[C@@]3(CCCO3)CC2)C(=O)c2csc3ccccc23)cc1 |r,wU:8.7,wD:11.15,(7.95,-30.13,;6.62,-30.91,;6.63,-32.45,;5.3,-33.22,;3.97,-32.46,;2.64,-33.23,;1.3,-32.47,;-.03,-33.24,;-.02,-34.78,;1.31,-35.54,;1.31,-37.08,;-.03,-37.85,;1.11,-38.89,;.47,-40.29,;-1.06,-40.12,;-1.37,-38.61,;-1.36,-37.08,;-1.36,-35.55,;-1.37,-32.48,;-1.37,-30.94,;-2.69,-33.24,;-2.85,-34.78,;-4.35,-35.1,;-5.13,-33.77,;-6.64,-33.46,;-7.11,-31.99,;-6.08,-30.84,;-4.57,-31.16,;-4.1,-32.62,;3.95,-30.92,;5.28,-30.14,)|
Show InChI InChI=1S/C26H28ClNO2S/c27-20-8-6-19(7-9-20)12-16-28(21-10-14-26(15-11-21)13-3-17-30-26)25(29)23-18-31-24-5-2-1-4-22(23)24/h1-2,4-9,18,21H,3,10-17H2/t21-,26-
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n/an/a 200n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275570
PNG
(CHEMBL519730 | N-(4-chlorophenethyl)-N-(1-(2,4-dif...)
Show SMILES Fc1ccc(CCN2CCC(CC2)N(CCc2ccc(Cl)cc2)C(=O)c2csc3ccccc23)c(F)c1
Show InChI InChI=1S/C30H29ClF2N2OS/c31-23-8-5-21(6-9-23)11-18-35(30(36)27-20-37-29-4-2-1-3-26(27)29)25-13-16-34(17-14-25)15-12-22-7-10-24(32)19-28(22)33/h1-10,19-20,25H,11-18H2
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n/an/a 200n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275604
PNG
(CHEMBL485766 | cis-N-(4-chlorophenethyl)-N-(4-hydr...)
Show SMILES O[C@H]1CC[C@H](CC1)N(CCc1ccc(Cl)cc1)C(=O)c1csc2ccccc12 |r,wU:4.7,1.0,(18.87,-50.94,;18.87,-49.4,;17.54,-48.63,;17.54,-47.1,;18.88,-46.33,;20.21,-47.09,;20.21,-48.63,;18.87,-44.79,;20.2,-44.02,;21.54,-44.78,;22.87,-44.01,;24.2,-44.77,;25.53,-44,;25.52,-42.46,;26.85,-41.68,;24.18,-41.69,;22.85,-42.47,;17.53,-44.03,;17.53,-42.49,;16.21,-44.79,;16.05,-46.33,;14.55,-46.65,;13.77,-45.32,;12.26,-45.01,;11.79,-43.54,;12.82,-42.39,;14.33,-42.71,;14.8,-44.17,)|
Show InChI InChI=1S/C23H24ClNO2S/c24-17-7-5-16(6-8-17)13-14-25(18-9-11-19(26)12-10-18)23(27)21-15-28-22-4-2-1-3-20(21)22/h1-8,15,18-19,26H,9-14H2/t18-,19+
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n/an/a 200n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275898
PNG
(CHEMBL470384 | methyl 2-(N-(1,4-dioxaspiro[4.5]dec...)
Show SMILES COC(=O)C(CC(C)C)N(C1CCC2(CC1)OCCO2)C(=O)c1csc2ccccc12
Show InChI InChI=1S/C24H31NO5S/c1-16(2)14-20(23(27)28-3)25(17-8-10-24(11-9-17)29-12-13-30-24)22(26)19-15-31-21-7-5-4-6-18(19)21/h4-7,15-17,20H,8-14H2,1-3H3
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n/an/a 290n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275778
PNG
(CHEMBL513055 | N-(2-chlorophenethyl)-N-(1,4-dioxas...)
Show SMILES Clc1ccccc1CCN(C1CCC2(CC1)OCCO2)C(=O)c1csc2ccccc12
Show InChI InChI=1S/C25H26ClNO3S/c26-22-7-3-1-5-18(22)11-14-27(19-9-12-25(13-10-19)29-15-16-30-25)24(28)21-17-31-23-8-4-2-6-20(21)23/h1-8,17,19H,9-16H2
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n/an/a 300n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275539
PNG
(CHEMBL519401 | N-(4-chlorophenethyl)-N-(1-(2-(2,4-...)
Show SMILES Fc1ccc(CC(=O)N2CCC(CC2)N(CCc2ccc(Cl)cc2)C(=O)c2csc3ccccc23)c(F)c1
Show InChI InChI=1S/C30H27ClF2N2O2S/c31-22-8-5-20(6-9-22)11-16-35(30(37)26-19-38-28-4-2-1-3-25(26)28)24-12-14-34(15-13-24)29(36)17-21-7-10-23(32)18-27(21)33/h1-10,18-19,24H,11-17H2
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n/an/a 330n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275572
PNG
(CHEMBL486971 | N-(4-chlorophenethyl)-N-(4-oxocyclo...)
Show SMILES Clc1ccc(CCN(C2CCC(=O)CC2)C(=O)c2csc3ccccc23)cc1
Show InChI InChI=1S/C23H22ClNO2S/c24-17-7-5-16(6-8-17)13-14-25(18-9-11-19(26)12-10-18)23(27)21-15-28-22-4-2-1-3-20(21)22/h1-8,15,18H,9-14H2
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n/an/a 350n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275643
PNG
(CHEMBL519705 | N-benzyl-N-(4-chlorophenethyl)benzo...)
Show SMILES Clc1ccc(CCN(Cc2ccccc2)C(=O)c2csc3ccccc23)cc1
Show InChI InChI=1S/C24H20ClNOS/c25-20-12-10-18(11-13-20)14-15-26(16-19-6-2-1-3-7-19)24(27)22-17-28-23-9-5-4-8-21(22)23/h1-13,17H,14-16H2
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n/an/a 370n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275833
PNG
(CHEMBL511613 | N-benzyl-N-(1,4-dioxaspiro[4.5]deca...)
Show SMILES O=C(N(Cc1ccccc1)C1CCC2(CC1)OCCO2)c1csc2ccccc12
Show InChI InChI=1S/C24H25NO3S/c26-23(21-17-29-22-9-5-4-8-20(21)22)25(16-18-6-2-1-3-7-18)19-10-12-24(13-11-19)27-14-15-28-24/h1-9,17,19H,10-16H2
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n/an/a 395n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275776
PNG
(CHEMBL513247 | N-(4-chlorophenethyl)-N-(1,4-dioxas...)
Show SMILES Clc1ccc(CCN(C2CCC3(CC2)OCCO3)C(=O)c2cncc3ccccc23)cc1
Show InChI InChI=1S/C26H27ClN2O3/c27-21-7-5-19(6-8-21)11-14-29(22-9-12-26(13-10-22)31-15-16-32-26)25(30)24-18-28-17-20-3-1-2-4-23(20)24/h1-8,17-18,22H,9-16H2
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n/an/a 400n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275835
PNG
(CHEMBL469528 | N-(2-(4-chlorophenoxy)ethyl)-N-(1,4...)
Show SMILES Clc1ccc(OCCN(C2CCC3(CC2)OCCO3)C(=O)c2csc3ccccc23)cc1
Show InChI InChI=1S/C25H26ClNO4S/c26-18-5-7-20(8-6-18)29-14-13-27(19-9-11-25(12-10-19)30-15-16-31-25)24(28)22-17-32-23-4-2-1-3-21(22)23/h1-8,17,19H,9-16H2
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n/an/a 435n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275726
PNG
(CHEMBL520381 | N-(4-chlorophenethyl)-2-isopropoxy-...)
Show SMILES CC(C)Oc1ncccc1C(=O)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2
Show InChI InChI=1S/C25H31ClN2O4/c1-18(2)32-23-22(4-3-14-27-23)24(29)28(15-11-19-5-7-20(26)8-6-19)21-9-12-25(13-10-21)30-16-17-31-25/h3-8,14,18,21H,9-13,15-17H2,1-2H3
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n/an/a 835n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275538
PNG
(CHEMBL486959 | CP-289503 | N-(4-chlorophenethyl)-N...)
Show SMILES COc1ccc(CCCN2CCC(CC2)N(CCc2ccc(Cl)cc2)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C30H35ClN2O2/c1-35-29-15-11-24(12-16-29)6-5-20-32-21-18-28(19-22-32)33(30(34)26-7-3-2-4-8-26)23-17-25-9-13-27(31)14-10-25/h2-4,7-16,28H,5-6,17-23H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275606
PNG
(CHEMBL485767 | N-(6-aminopyridin-3-yl)-N-(4-chloro...)
Show SMILES Nc1ccc(cn1)N(CCc1ccc(Cl)cc1)C(=O)c1csc2ccccc12
Show InChI InChI=1S/C22H18ClN3OS/c23-16-7-5-15(6-8-16)11-12-26(17-9-10-21(24)25-13-17)22(27)19-14-28-20-4-2-1-3-18(19)20/h1-10,13-14H,11-12H2,(H2,24,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275646
PNG
(CHEMBL487142 | N-(4-chlorophenethyl)-N-(1,4-dioxas...)
Show SMILES Clc1ccc(CCN(C2CCC3(CC2)OCCO3)C(=O)c2nsc3ccccc23)cc1
Show InChI InChI=1S/C24H25ClN2O3S/c25-18-7-5-17(6-8-18)11-14-27(19-9-12-24(13-10-19)29-15-16-30-24)23(28)22-20-3-1-2-4-21(20)31-26-22/h1-8,19H,9-16H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275607
PNG
(CHEMBL488185 | N-(4-chlorophenethyl)-N-(tetrahydro...)
Show SMILES Clc1ccc(CCN(C2CCOCC2)C(=O)c2csc3ccccc23)cc1
Show InChI InChI=1S/C22H22ClNO2S/c23-17-7-5-16(6-8-17)9-12-24(18-10-13-26-14-11-18)22(25)20-15-27-21-4-2-1-3-19(20)21/h1-8,15,18H,9-14H2
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275832
PNG
(CHEMBL512477 | N-(2-(pyridin-2-yl)ethyl)-N-(1,4-di...)
Show SMILES O=C(N(CCc1ccccn1)C1CCC2(CC1)OCCO2)c1csc2ccccc12
Show InChI InChI=1S/C24H26N2O3S/c27-23(21-17-30-22-7-2-1-6-20(21)22)26(14-10-18-5-3-4-13-25-18)19-8-11-24(12-9-19)28-15-16-29-24/h1-7,13,17,19H,8-12,14-16H2
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275681
PNG
(CHEMBL519048 | N-(4-chlorophenethyl)-N-(1,4-dioxas...)
Show SMILES Clc1ccc(CCN(C2CCC3(CC2)OCCO3)C(=O)c2noc3ccccc23)cc1
Show InChI InChI=1S/C24H25ClN2O4/c25-18-7-5-17(6-8-18)11-14-27(19-9-12-24(13-10-19)29-15-16-30-24)23(28)22-20-3-1-2-4-21(20)31-26-22/h1-8,19H,9-16H2
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275682
PNG
(CHEMBL528767 | N-(4-chlorophenethyl)-3-methoxy-N-(...)
Show SMILES COc1cccc(c1)C(=O)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2
Show InChI InChI=1S/C24H28ClNO4/c1-28-22-4-2-3-19(17-22)23(27)26(14-11-18-5-7-20(25)8-6-18)21-9-12-24(13-10-21)29-15-16-30-24/h2-8,17,21H,9-16H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275684
PNG
(CHEMBL488389 | N-(4-chlorophenethyl)-2-(methylamin...)
Show SMILES CNc1ncccc1C(=O)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2
Show InChI InChI=1S/C23H28ClN3O3/c1-25-21-20(3-2-13-26-21)22(28)27(14-10-17-4-6-18(24)7-5-17)19-8-11-23(12-9-19)29-15-16-30-23/h2-7,13,19H,8-12,14-16H2,1H3,(H,25,26)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50275571
PNG
(CHEMBL486970 | N-(4-chlorophenethyl)-N-(piperidin-...)
Show SMILES Clc1ccc(CCN(C2CCNCC2)C(=O)c2csc3ccccc23)cc1
Show InChI InChI=1S/C22H23ClN2OS/c23-17-7-5-16(6-8-17)11-14-25(18-9-12-24-13-10-18)22(26)20-15-27-21-4-2-1-3-19(20)21/h1-8,15,18,24H,9-14H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells

Bioorg Med Chem Lett 18: 5601-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.106
BindingDB Entry DOI: 10.7270/Q2TQ61CX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%