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PubMed code 1310118

Compile data set for download or QSAR
Found 32 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


(Homo sapiens (Human))		BDBM50229902
PNG
(CHEMBL313562)
Show SMILES Cc1cc(N)c2cc(NC(=O)C(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1
Show InChI InChI=1S/C22H20N6O2/c1-11-7-17(23)15-9-13(3-5-19(15)25-11)27-21(29)22(30)28-14-4-6-20-16(10-14)18(24)8-12(2)26-20/h3-10H,1-2H3,(H2,23,25)(H2,24,26)(H,27,29)(H,28,30)
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n/an/a 2n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50444748
PNG
(AMINOQUINURIDE | Aminoquinuride)
Show SMILES Cc1cc(N)c2cc(NC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1
Show InChI InChI=1S/C21H20N6O/c1-11-7-17(22)15-9-13(3-5-19(15)24-11)26-21(28)27-14-4-6-20-16(10-14)18(23)8-12(2)25-20/h3-10H,1-2H3,(H2,22,24)(H2,23,25)(H2,26,27,28)
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n/an/a 3.30n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50229891
PNG
(CHEMBL85288)
Show SMILES Cc1cc(N)c2cc(NC(=O)\C=C\c3cccc(c3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C20H16F3N3O/c1-12-9-17(24)16-11-15(6-7-18(16)25-12)26-19(27)8-5-13-3-2-4-14(10-13)20(21,22)23/h2-11H,1H3,(H2,24,25)(H,26,27)/b8-5+
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n/an/a 4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50193649
PNG
((E)-N-(4-amino-2-methylquinolin-6-yl)-3-(4-(triflu...)
Show SMILES Cc1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C20H16F3N3O/c1-12-10-17(24)16-11-15(7-8-18(16)25-12)26-19(27)9-4-13-2-5-14(6-3-13)20(21,22)23/h2-11H,1H3,(H2,24,25)(H,26,27)/b9-4+
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n/an/a 7n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50229904
PNG
(CHEMBL87465)
Show SMILES Cc1cc(N)c2cc(NC(=O)\C=C\c3c(Cl)cccc3Cl)ccc2n1
Show InChI InChI=1S/C19H15Cl2N3O/c1-11-9-17(22)14-10-12(5-7-18(14)23-11)24-19(25)8-6-13-15(20)3-2-4-16(13)21/h2-10H,1H3,(H2,22,23)(H,24,25)/b8-6+
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n/an/a 8n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50229897
PNG
(CHEMBL314007)
Show SMILES Cc1cc(N)c2cc(NC(=O)\C=C\c3ccccc3C(F)(F)F)ccc2n1
Show InChI InChI=1S/C20H16F3N3O/c1-12-10-17(24)15-11-14(7-8-18(15)25-12)26-19(27)9-6-13-4-2-3-5-16(13)20(21,22)23/h2-11H,1H3,(H2,24,25)(H,26,27)/b9-6+
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n/an/a 9n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM55880
PNG
((E)-N-(4-amino-2-methyl-6-quinolinyl)-3-(2-chlorop...)
Show SMILES Cc1cc(N)c2cc(NC(=O)\C=C\c3ccccc3Cl)ccc2n1
Show InChI InChI=1S/C19H16ClN3O/c1-12-10-17(21)15-11-14(7-8-18(15)22-12)23-19(24)9-6-13-4-2-3-5-16(13)20/h2-11H,1H3,(H2,21,22)(H,23,24)/b9-6+
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n/an/a 12n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50229896
PNG
(CHEMBL87266)
Show SMILES Cc1cc(N)c2cc(NC(=O)CC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1
Show InChI InChI=1S/C23H22N6O2/c1-12-7-18(24)16-9-14(3-5-20(16)26-12)28-22(30)11-23(31)29-15-4-6-21-17(10-15)19(25)8-13(2)27-21/h3-10H,11H2,1-2H3,(H2,24,26)(H2,25,27)(H,28,30)(H,29,31)
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n/an/a 18n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50229898
PNG
(CHEMBL87909)
Show SMILES CCCCCCCC(=O)Nc1ccc2nc(C)cc(N)c2c1
Show InChI InChI=1S/C18H25N3O/c1-3-4-5-6-7-8-18(22)21-14-9-10-17-15(12-14)16(19)11-13(2)20-17/h9-12H,3-8H2,1-2H3,(H2,19,20)(H,21,22)
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n/an/a 30n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50229905
PNG
(CHEMBL315313)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccc4ccccc4c3)ccc2n1
Show InChI InChI=1S/C21H17N3O/c1-13-10-19(22)18-12-17(8-9-20(18)23-13)24-21(25)16-7-6-14-4-2-3-5-15(14)11-16/h2-12H,1H3,(H2,22,23)(H,24,25)
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n/an/a 30n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50229906
PNG
(CHEMBL87546 | TCMDC-139337)
Show SMILES Cc1cc(N)c2cc(NC(=O)\C=C\c3ccccc3)ccc2n1
Show InChI InChI=1S/C19H17N3O/c1-13-11-17(20)16-12-15(8-9-18(16)21-13)22-19(23)10-7-14-5-3-2-4-6-14/h2-12H,1H3,(H2,20,21)(H,22,23)/b10-7+
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n/an/a 30n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50229910
PNG
(CHEMBL263759)
Show SMILES Cc1cc(NCc2ccccc2)c2cc(NC(=O)C(=O)Nc3ccc4nc(C)cc(NCc5ccccc5)c4c3)ccc2n1
Show InChI InChI=1S/C36H32N6O2/c1-23-17-33(37-21-25-9-5-3-6-10-25)29-19-27(13-15-31(29)39-23)41-35(43)36(44)42-28-14-16-32-30(20-28)34(18-24(2)40-32)38-22-26-11-7-4-8-12-26/h3-20H,21-22H2,1-2H3,(H,37,39)(H,38,40)(H,41,43)(H,42,44)
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n/an/a>50n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50229901
PNG
(CHEMBL86857)
Show SMILES Cc1cc(N)c2cc(NC(=O)CCCCCCCCC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1
Show InChI InChI=1S/C30H36N6O2/c1-19-15-25(31)23-17-21(11-13-27(23)33-19)35-29(37)9-7-5-3-4-6-8-10-30(38)36-22-12-14-28-24(18-22)26(32)16-20(2)34-28/h11-18H,3-10H2,1-2H3,(H2,31,33)(H2,32,34)(H,35,37)(H,36,38)
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n/an/a>50n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50229893
PNG
(CHEMBL315307)
Show SMILES Cc1ccc2cc(NC(=O)Nc3ccc4nc(C)ccc4c3)ccc2n1
Show InChI InChI=1S/C21H18N4O/c1-13-3-5-15-11-17(7-9-19(15)22-13)24-21(26)25-18-8-10-20-16(12-18)6-4-14(2)23-20/h3-12H,1-2H3,(H2,24,25,26)
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n/an/a>50n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50229894
PNG
(CHEMBL86661)
Show SMILES COc1cc(C)nc2ccc(NC(=O)\C=C\c3ccccc3Cl)cc12
Show InChI InChI=1S/C20H17ClN2O2/c1-13-11-19(25-2)16-12-15(8-9-18(16)22-13)23-20(24)10-7-14-5-3-4-6-17(14)21/h3-12H,1-2H3,(H,23,24)/b10-7+
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n/an/a>50n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50229903
PNG
(CHEMBL313206)
Show SMILES Cc1cc(N)c2cc(NC(=O)CCCCC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1
Show InChI InChI=1S/C26H28N6O2/c1-15-11-21(27)19-13-17(7-9-23(19)29-15)31-25(33)5-3-4-6-26(34)32-18-8-10-24-20(14-18)22(28)12-16(2)30-24/h7-14H,3-6H2,1-2H3,(H2,27,29)(H2,28,30)(H,31,33)(H,32,34)
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n/an/a>50n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50229892
PNG
(CHEMBL314406)
Show SMILES Cc1cc(N)c2cc(ccc2n1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C18H17N3O/c1-12-9-16(19)15-10-14(7-8-17(15)21-12)18(22)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,19,21)(H,20,22)
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n/an/a>100n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50229890
PNG
(CHEMBL538918)
Show SMILES CCCCCCCCNc1cc(C)nc2ccc(NC(=O)\C=C\c3ccccc3Cl)cc12
Show InChI InChI=1S/C27H32ClN3O/c1-3-4-5-6-7-10-17-29-26-18-20(2)30-25-15-14-22(19-23(25)26)31-27(32)16-13-21-11-8-9-12-24(21)28/h8-9,11-16,18-19H,3-7,10,17H2,1-2H3,(H,29,30)(H,31,32)/b16-13+
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n/an/a>100n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50229909
PNG
(CHEMBL83403)
Show SMILES Cc1cc(NCc2ccccc2)c2cc(NC(=O)\C=C\c3ccccc3Cl)ccc2n1
Show InChI InChI=1S/C26H22ClN3O/c1-18-15-25(28-17-19-7-3-2-4-8-19)22-16-21(12-13-24(22)29-18)30-26(31)14-11-20-9-5-6-10-23(20)27/h2-16H,17H2,1H3,(H,28,29)(H,30,31)/b14-11+
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50229907
PNG
(CHEMBL88036)
Show SMILES Cc1cc(NCc2ccccc2)c2cc(NC(=O)\C=C\c3ccccc3C(F)(F)F)ccc2n1
Show InChI InChI=1S/C27H22F3N3O/c1-18-15-25(31-17-19-7-3-2-4-8-19)22-16-21(12-13-24(22)32-18)33-26(34)14-11-20-9-5-6-10-23(20)27(28,29)30/h2-16H,17H2,1H3,(H,31,32)(H,33,34)/b14-11+
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50229899
PNG
(CHEMBL87452)
Show SMILES Cc1cc(N)c2cc(N)ccc2n1
Show InChI InChI=1S/C10H11N3/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,11H2,1H3,(H2,12,13)
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n/an/a>100n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50444729
PNG
(CHEMBL87699)
Show SMILES Cc1cc(N)c2cc(NC(=O)CCc3ccccc3)ccc2n1
Show InChI InChI=1S/C19H19N3O/c1-13-11-17(20)16-12-15(8-9-18(16)21-13)22-19(23)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-12H,7,10H2,1H3,(H2,20,21)(H,22,23)
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n/an/a>100n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50229895
PNG
(CHEMBL420794)
Show SMILES CCCC(=O)Nc1ccc2nc(C)cc(N)c2c1
Show InChI InChI=1S/C14H17N3O/c1-3-4-14(18)17-10-5-6-13-11(8-10)12(15)7-9(2)16-13/h5-8H,3-4H2,1-2H3,(H2,15,16)(H,17,18)
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n/an/a>100n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50229911
PNG
(CHEMBL87445)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3)ccc2n1
Show InChI InChI=1S/C17H15N3O/c1-11-9-15(18)14-10-13(7-8-16(14)19-11)20-17(21)12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19)(H,20,21)
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n/an/a>100n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50229908
PNG
(CHEMBL86425)
Show SMILES Cc1cc(NCc2ccccc2)c2cc(N)ccc2n1
Show InChI InChI=1S/C17H17N3/c1-12-9-17(19-11-13-5-3-2-4-6-13)15-10-14(18)7-8-16(15)20-12/h2-10H,11,18H2,1H3,(H,19,20)
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n/an/a>100n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))		BDBM50229900
PNG
(CHEMBL82917)
Show SMILES CCCCCCCCNC(=O)c1ccc2nc(C)cc(N)c2c1
Show InChI InChI=1S/C19H27N3O/c1-3-4-5-6-7-8-11-21-19(23)15-9-10-18-16(13-15)17(20)12-14(2)22-18/h9-10,12-13H,3-8,11H2,1-2H3,(H2,20,22)(H,21,23)
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n/an/a>100n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))		BDBM50229904
PNG
(CHEMBL87465)
Show SMILES Cc1cc(N)c2cc(NC(=O)\C=C\c3c(Cl)cccc3Cl)ccc2n1
Show InChI InChI=1S/C19H15Cl2N3O/c1-11-9-17(22)14-10-12(5-7-18(14)23-11)24-19(25)8-6-13-15(20)3-2-4-16(13)21/h2-10H,1H3,(H2,22,23)(H,24,25)/b8-6+
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for the induction of nonspecific myeloperoxidase (MPO) release

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))		BDBM50229909
PNG
(CHEMBL83403)
Show SMILES Cc1cc(NCc2ccccc2)c2cc(NC(=O)\C=C\c3ccccc3Cl)ccc2n1
Show InChI InChI=1S/C26H22ClN3O/c1-18-15-25(28-17-19-7-3-2-4-8-19)22-16-21(12-13-24(22)29-18)30-26(31)14-11-20-9-5-6-10-23(20)27/h2-16H,17H2,1H3,(H,28,29)(H,30,31)/b14-11+
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n/an/an/an/a 5n/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for the induction of nonspecific myeloperoxidase (MPO) release

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))		BDBM50229902
PNG
(CHEMBL313562)
Show SMILES Cc1cc(N)c2cc(NC(=O)C(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1
Show InChI InChI=1S/C22H20N6O2/c1-11-7-17(23)15-9-13(3-5-19(15)25-11)27-21(29)22(30)28-14-4-6-20-16(10-14)18(24)8-12(2)26-20/h3-10H,1-2H3,(H2,23,25)(H2,24,26)(H,27,29)(H,28,30)
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for the induction of nonspecific myeloperoxidase (MPO) release

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))		BDBM50229897
PNG
(CHEMBL314007)
Show SMILES Cc1cc(N)c2cc(NC(=O)\C=C\c3ccccc3C(F)(F)F)ccc2n1
Show InChI InChI=1S/C20H16F3N3O/c1-12-10-17(24)15-11-14(7-8-18(15)25-12)26-19(27)9-6-13-4-2-3-5-16(13)20(21,22)23/h2-11H,1H3,(H2,24,25)(H,26,27)/b9-6+
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for the induction of nonspecific myeloperoxidase (MPO) release

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))		BDBM55880
PNG
((E)-N-(4-amino-2-methyl-6-quinolinyl)-3-(2-chlorop...)
Show SMILES Cc1cc(N)c2cc(NC(=O)\C=C\c3ccccc3Cl)ccc2n1
Show InChI InChI=1S/C19H16ClN3O/c1-12-10-17(21)15-11-14(7-8-18(15)22-12)23-19(24)9-6-13-4-2-3-5-16(13)20/h2-11H,1H3,(H2,21,22)(H,23,24)/b9-6+
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for the induction of nonspecific myeloperoxidase (MPO) release

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))		BDBM50444748
PNG
(AMINOQUINURIDE | Aminoquinuride)
Show SMILES Cc1cc(N)c2cc(NC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1
Show InChI InChI=1S/C21H20N6O/c1-11-7-17(22)15-9-13(3-5-19(15)24-11)26-21(28)27-14-4-6-20-16(10-14)18(23)8-12(2)25-20/h3-10H,1-2H3,(H2,22,24)(H2,23,25)(H2,26,27,28)
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for the induction of nonspecific myeloperoxidase (MPO) release

J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
BindingDB Entry DOI: 10.7270/Q2X63Q54
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%