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Articleid 50030134

Compile data set for download or QSAR
Found 21 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))		BDBM50291452
PNG
(CHEMBL368161 | N-Methyl-N'-(6-phenethyloxy-bipheny...)
Show SMILES CNC(N)=Nc1ccc(OCCc2ccccc2)c(c1)-c1ccccc1 |w:4.4|
Show InChI InChI=1S/C22H23N3O/c1-24-22(23)25-19-12-13-21(20(16-19)18-10-6-3-7-11-18)26-15-14-17-8-4-2-5-9-17/h2-13,16H,14-15H2,1H3,(H3,23,24,25)
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n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the antagonistic activity against C5a anaphylatoxin chemotactic receptor in human neutrophil C5a stimulated respiratory bu...

Bioorg Med Chem Lett 7: 907-912 (1997)


Article DOI: 10.1016/S0960-894X(97)00124-8
BindingDB Entry DOI: 10.7270/Q2JM29MB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50291461
PNG
(CHEMBL173394 | N-Methyl-N'-[6-(3-phenyl-propoxy)-b...)
Show SMILES CNC(N)=Nc1ccc(OCCCc2ccccc2)c(c1)-c1ccccc1 |w:4.4|
Show InChI InChI=1S/C23H25N3O/c1-25-23(24)26-20-14-15-22(21(17-20)19-12-6-3-7-13-19)27-16-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-15,17H,8,11,16H2,1H3,(H3,24,25,26)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against C5a anaphylatoxin chemotactic receptor assayed on human monocyte cell line U937

Bioorg Med Chem Lett 7: 907-912 (1997)


Article DOI: 10.1016/S0960-894X(97)00124-8
BindingDB Entry DOI: 10.7270/Q2JM29MB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50291465
PNG
(CHEMBL173442 | N-[6-(2-Cyclohexyl-ethoxy)-biphenyl...)
Show SMILES CNC(N)=Nc1ccc(OCCC2CCCCC2)c(c1)-c1ccccc1 |w:4.4|
Show InChI InChI=1S/C22H29N3O/c1-24-22(23)25-19-12-13-21(20(16-19)18-10-6-3-7-11-18)26-15-14-17-8-4-2-5-9-17/h3,6-7,10-13,16-17H,2,4-5,8-9,14-15H2,1H3,(H3,23,24,25)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against C5a anaphylatoxin chemotactic receptor assayed on human monocyte cell line U937

Bioorg Med Chem Lett 7: 907-912 (1997)


Article DOI: 10.1016/S0960-894X(97)00124-8
BindingDB Entry DOI: 10.7270/Q2JM29MB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50291456
PNG
(CHEMBL366875 | N-(6-Benzyloxy-biphenyl-3-yl)-N'-me...)
Show SMILES CNC(N)=Nc1ccc(OCc2ccccc2)c(c1)-c1ccccc1 |w:4.4|
Show InChI InChI=1S/C21H21N3O/c1-23-21(22)24-18-12-13-20(25-15-16-8-4-2-5-9-16)19(14-18)17-10-6-3-7-11-17/h2-14H,15H2,1H3,(H3,22,23,24)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against C5a anaphylatoxin chemotactic receptor assayed on human monocyte cell line U937

Bioorg Med Chem Lett 7: 907-912 (1997)


Article DOI: 10.1016/S0960-894X(97)00124-8
BindingDB Entry DOI: 10.7270/Q2JM29MB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50291460
PNG
(CHEMBL173206 | N-(6-Cyclohexylmethoxy-biphenyl-3-y...)
Show SMILES CNC(N)=Nc1ccc(OCC2CCCCC2)c(c1)-c1ccccc1 |w:4.4|
Show InChI InChI=1S/C21H27N3O/c1-23-21(22)24-18-12-13-20(25-15-16-8-4-2-5-9-16)19(14-18)17-10-6-3-7-11-17/h3,6-7,10-14,16H,2,4-5,8-9,15H2,1H3,(H3,22,23,24)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against C5a anaphylatoxin chemotactic receptor assayed on human monocyte cell line U937

Bioorg Med Chem Lett 7: 907-912 (1997)


Article DOI: 10.1016/S0960-894X(97)00124-8
BindingDB Entry DOI: 10.7270/Q2JM29MB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50291467
PNG
(CHEMBL171630 | N-[3-Benzyloxy-4-(4-phenyl-butoxy)-...)
Show SMILES CNC(N)=Nc1ccc(OCCCCc2ccccc2)c(OCc2ccccc2)c1 |w:4.4|
Show InChI InChI=1S/C25H29N3O2/c1-27-25(26)28-22-15-16-23(24(18-22)30-19-21-13-6-3-7-14-21)29-17-9-8-12-20-10-4-2-5-11-20/h2-7,10-11,13-16,18H,8-9,12,17,19H2,1H3,(H3,26,27,28)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against C5a anaphylatoxin chemotactic receptor assayed on human monocyte cell line U937

Bioorg Med Chem Lett 7: 907-912 (1997)


Article DOI: 10.1016/S0960-894X(97)00124-8
BindingDB Entry DOI: 10.7270/Q2JM29MB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50291468
PNG
(CHEMBL170859 | N-(4-Benzyloxy-3-phenoxy-phenyl)-N'...)
Show SMILES CNC(N)=Nc1ccc(OCc2ccccc2)c(Oc2ccccc2)c1 |w:4.4|
Show InChI InChI=1S/C21H21N3O2/c1-23-21(22)24-17-12-13-19(25-15-16-8-4-2-5-9-16)20(14-17)26-18-10-6-3-7-11-18/h2-14H,15H2,1H3,(H3,22,23,24)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against C5a anaphylatoxin chemotactic receptor assayed on human monocyte cell line U937

Bioorg Med Chem Lett 7: 907-912 (1997)


Article DOI: 10.1016/S0960-894X(97)00124-8
BindingDB Entry DOI: 10.7270/Q2JM29MB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50291470
PNG
(CHEMBL425497 | N-(4-Benzyloxy-3-naphthalen-1-yl-ph...)
Show SMILES CNC(N)=Nc1ccc(OCc2ccccc2)c(c1)-c1cccc2ccccc12 |w:4.4|
Show InChI InChI=1S/C25H23N3O/c1-27-25(26)28-20-14-15-24(29-17-18-8-3-2-4-9-18)23(16-20)22-13-7-11-19-10-5-6-12-21(19)22/h2-16H,17H2,1H3,(H3,26,27,28)
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n/an/a 4.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against C5a anaphylatoxin chemotactic receptor assayed on human monocyte cell line U937

Bioorg Med Chem Lett 7: 907-912 (1997)


Article DOI: 10.1016/S0960-894X(97)00124-8
BindingDB Entry DOI: 10.7270/Q2JM29MB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50291453
PNG
(CHEMBL355676 | N-[3-Benzyloxy-4-(3-phenyl-propoxy)...)
Show SMILES CNC(N)=Nc1ccc(OCCCc2ccccc2)c(OCc2ccccc2)c1 |w:4.4|
Show InChI InChI=1S/C24H27N3O2/c1-26-24(25)27-21-14-15-22(28-16-8-13-19-9-4-2-5-10-19)23(17-21)29-18-20-11-6-3-7-12-20/h2-7,9-12,14-15,17H,8,13,16,18H2,1H3,(H3,25,26,27)
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n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against C5a anaphylatoxin chemotactic receptor assayed on human monocyte cell line U937

Bioorg Med Chem Lett 7: 907-912 (1997)


Article DOI: 10.1016/S0960-894X(97)00124-8
BindingDB Entry DOI: 10.7270/Q2JM29MB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50291466
PNG
(CHEMBL171211 | N-(3-Benzyloxy-4-phenethyloxy-pheny...)
Show SMILES CNC(N)=Nc1ccc(OCCc2ccccc2)c(OCc2ccccc2)c1 |w:4.4|
Show InChI InChI=1S/C23H25N3O2/c1-25-23(24)26-20-12-13-21(27-15-14-18-8-4-2-5-9-18)22(16-20)28-17-19-10-6-3-7-11-19/h2-13,16H,14-15,17H2,1H3,(H3,24,25,26)
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n/an/a 7.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against C5a anaphylatoxin chemotactic receptor assayed on human monocyte cell line U937

Bioorg Med Chem Lett 7: 907-912 (1997)


Article DOI: 10.1016/S0960-894X(97)00124-8
BindingDB Entry DOI: 10.7270/Q2JM29MB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50291458
PNG
(CHEMBL174374 | N-(6-Benzyloxy-3'-fluoro-biphenyl-3...)
Show SMILES CNC(N)=Nc1ccc(OCc2ccccc2)c(c1)-c1cccc(F)c1 |w:4.4|
Show InChI InChI=1S/C21H20FN3O/c1-24-21(23)25-18-10-11-20(26-14-15-6-3-2-4-7-15)19(13-18)16-8-5-9-17(22)12-16/h2-13H,14H2,1H3,(H3,23,24,25)
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n/an/a 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against C5a anaphylatoxin chemotactic receptor assayed on human monocyte cell line U937

Bioorg Med Chem Lett 7: 907-912 (1997)


Article DOI: 10.1016/S0960-894X(97)00124-8
BindingDB Entry DOI: 10.7270/Q2JM29MB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50291463
PNG
(CHEMBL353857 | N-(3-Benzyloxy-4-cyclohexylmethoxy-...)
Show SMILES CNC(N)=Nc1ccc(OCC2CCCCC2)c(OCc2ccccc2)c1 |w:4.4|
Show InChI InChI=1S/C22H29N3O2/c1-24-22(23)25-19-12-13-20(26-15-17-8-4-2-5-9-17)21(14-19)27-16-18-10-6-3-7-11-18/h3,6-7,10-14,17H,2,4-5,8-9,15-16H2,1H3,(H3,23,24,25)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against C5a anaphylatoxin chemotactic receptor assayed on human monocyte cell line U937

Bioorg Med Chem Lett 7: 907-912 (1997)


Article DOI: 10.1016/S0960-894X(97)00124-8
BindingDB Entry DOI: 10.7270/Q2JM29MB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50291451
PNG
(CHEMBL278884 | N-(6-Benzyloxy-3'-methoxy-biphenyl-...)
Show SMILES CNC(N)=Nc1ccc(OCc2ccccc2)c(c1)-c1cccc(OC)c1 |w:4.4|
Show InChI InChI=1S/C22H23N3O2/c1-24-22(23)25-18-11-12-21(27-15-16-7-4-3-5-8-16)20(14-18)17-9-6-10-19(13-17)26-2/h3-14H,15H2,1-2H3,(H3,23,24,25)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against C5a anaphylatoxin chemotactic receptor assayed on human monocyte cell line U937

Bioorg Med Chem Lett 7: 907-912 (1997)


Article DOI: 10.1016/S0960-894X(97)00124-8
BindingDB Entry DOI: 10.7270/Q2JM29MB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50291462
PNG
(CHEMBL172952 | N-(4-Benzyloxy-3-thiophen-2-yl-phen...)
Show SMILES CNC(N)=Nc1ccc(OCc2ccccc2)c(c1)-c1cccs1 |w:4.4|
Show InChI InChI=1S/C19H19N3OS/c1-21-19(20)22-15-9-10-17(16(12-15)18-8-5-11-24-18)23-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H3,20,21,22)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against C5a anaphylatoxin chemotactic receptor assayed on human monocyte cell line U937

Bioorg Med Chem Lett 7: 907-912 (1997)


Article DOI: 10.1016/S0960-894X(97)00124-8
BindingDB Entry DOI: 10.7270/Q2JM29MB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50291469
PNG
(CHEMBL172841 | N-[3-Benzyloxy-4-(2-cyclohexyl-etho...)
Show SMILES CNC(N)=Nc1ccc(OCCC2CCCCC2)c(OCc2ccccc2)c1 |w:4.4|
Show InChI InChI=1S/C23H31N3O2/c1-25-23(24)26-20-12-13-21(27-15-14-18-8-4-2-5-9-18)22(16-20)28-17-19-10-6-3-7-11-19/h3,6-7,10-13,16,18H,2,4-5,8-9,14-15,17H2,1H3,(H3,24,25,26)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against C5a anaphylatoxin chemotactic receptor assayed on human monocyte cell line U937

Bioorg Med Chem Lett 7: 907-912 (1997)


Article DOI: 10.1016/S0960-894X(97)00124-8
BindingDB Entry DOI: 10.7270/Q2JM29MB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50291464
PNG
(CHEMBL441305 | N-(4-Benzyloxy-3-cyclopentyloxy-phe...)
Show SMILES CNC(N)=Nc1ccc(OCc2ccccc2)c(OC2CCCC2)c1 |w:4.4|
Show InChI InChI=1S/C20H25N3O2/c1-22-20(21)23-16-11-12-18(24-14-15-7-3-2-4-8-15)19(13-16)25-17-9-5-6-10-17/h2-4,7-8,11-13,17H,5-6,9-10,14H2,1H3,(H3,21,22,23)
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n/an/a 2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against C5a anaphylatoxin chemotactic receptor assayed on human monocyte cell line U937

Bioorg Med Chem Lett 7: 907-912 (1997)


Article DOI: 10.1016/S0960-894X(97)00124-8
BindingDB Entry DOI: 10.7270/Q2JM29MB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50291455
PNG
(CHEMBL172788 | N-(3-Benzyloxy-4-butoxy-phenyl)-N'-...)
Show SMILES CCCCOc1ccc(cc1OCc1ccccc1)N=C(N)NC |w:19.20|
Show InChI InChI=1S/C19H25N3O2/c1-3-4-12-23-17-11-10-16(22-19(20)21-2)13-18(17)24-14-15-8-6-5-7-9-15/h5-11,13H,3-4,12,14H2,1-2H3,(H3,20,21,22)
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n/an/a 3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against C5a anaphylatoxin chemotactic receptor assayed on human monocyte cell line U937

Bioorg Med Chem Lett 7: 907-912 (1997)


Article DOI: 10.1016/S0960-894X(97)00124-8
BindingDB Entry DOI: 10.7270/Q2JM29MB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50291457
PNG
(CHEMBL174463 | N-(3,4-Bis-benzyloxy-phenyl)-N'-met...)
Show SMILES CNC(N)=Nc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 |w:4.4|
Show InChI InChI=1S/C22H23N3O2/c1-24-22(23)25-19-12-13-20(26-15-17-8-4-2-5-9-17)21(14-19)27-16-18-10-6-3-7-11-18/h2-14H,15-16H2,1H3,(H3,23,24,25)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against C5a anaphylatoxin chemotactic receptor assayed on human monocyte cell line U937

Bioorg Med Chem Lett 7: 907-912 (1997)


Article DOI: 10.1016/S0960-894X(97)00124-8
BindingDB Entry DOI: 10.7270/Q2JM29MB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50291450
PNG
(CHEMBL169553 | N-(6-Benzyloxy-4'-chloro-biphenyl-3...)
Show SMILES CNC(N)=Nc1ccc(OCc2ccccc2)c(c1)-c1ccc(Cl)cc1 |w:4.4|
Show InChI InChI=1S/C21H20ClN3O/c1-24-21(23)25-18-11-12-20(26-14-15-5-3-2-4-6-15)19(13-18)16-7-9-17(22)10-8-16/h2-13H,14H2,1H3,(H3,23,24,25)
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n/an/a 5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against C5a anaphylatoxin chemotactic receptor assayed on human monocyte cell line U937

Bioorg Med Chem Lett 7: 907-912 (1997)


Article DOI: 10.1016/S0960-894X(97)00124-8
BindingDB Entry DOI: 10.7270/Q2JM29MB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50291459
PNG
(CHEMBL173708 | N-(6-Benzyloxy-4'-methoxy-biphenyl-...)
Show SMILES CNC(N)=Nc1ccc(OCc2ccccc2)c(c1)-c1ccc(OC)cc1 |w:4.4|
Show InChI InChI=1S/C22H23N3O2/c1-24-22(23)25-18-10-13-21(27-15-16-6-4-3-5-7-16)20(14-18)17-8-11-19(26-2)12-9-17/h3-14H,15H2,1-2H3,(H3,23,24,25)
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n/an/a 5.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against C5a anaphylatoxin chemotactic receptor assayed on human monocyte cell line U937

Bioorg Med Chem Lett 7: 907-912 (1997)


Article DOI: 10.1016/S0960-894X(97)00124-8
BindingDB Entry DOI: 10.7270/Q2JM29MB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50291454
PNG
(CHEMBL170178 | N-(3,4-Bis-benzyloxy-phenyl)-guanid...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(-[#8]-[#6]-c2ccccc2)c(-[#8]-[#6]-c2ccccc2)c1
Show InChI InChI=1S/C21H21N3O2/c22-21(23)24-18-11-12-19(25-14-16-7-3-1-4-8-16)20(13-18)26-15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H4,22,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against C5a anaphylatoxin chemotactic receptor assayed on human monocyte cell line U937

Bioorg Med Chem Lett 7: 907-912 (1997)


Article DOI: 10.1016/S0960-894X(97)00124-8
BindingDB Entry DOI: 10.7270/Q2JM29MB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%