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19 similar compounds to monomer 50229899

Compile data set for download or QSAR
Wt: 371.3
BDBM50229891
Wt: 291.3
BDBM50229892
Wt: 450.0
BDBM50229890
Wt: 342.3
BDBM50229893
Wt: 1073.2
BDBM50229889
Wt: 243.3
BDBM50229895
Wt: 414.4
BDBM50229896
Wt: 327.3
BDBM50229905
Wt: 371.3
BDBM50229897
Wt: 299.4
BDBM50229898
Wt: 512.6
BDBM50229901
Wt: 400.4
BDBM50229902
Wt: 313.4
BDBM50229900
Wt: 456.5
BDBM50229903
Wt: 372.2
BDBM50229904
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50229891,50229892,50229890,50229893,50229889,50229895,50229896,50229905,50229897,50229898,50229901,50229902,50229900,50229903,50229904   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))
BDBM50229889
PNG
(CHEMBL3350366)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C50H84N14O12/c1-28(2)41(48(74)57-29(3)42(68)60-35(49(75)76)19-13-21-55-50(52)53)64-47(73)37(23-32-16-9-6-10-17-32)62-44(70)36(22-31-14-7-5-8-15-31)61-46(72)39(25-40(66)67)63-43(69)34(18-11-12-20-51)59-45(71)38(58-30(4)65)24-33-26-54-27-56-33/h26-29,31-32,34-39,41H,5-25,51H2,1-4H3,(H,54,56)(H,57,74)(H,58,65)(H,59,71)(H,60,68)(H,61,72)(H,62,70)(H,63,69)(H,64,73)(H,66,67)(H,75,76)(H4,52,53,55)/t29-,34+,35+,36+,37+,38+,39+,41+/m1/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [125I]-C5a anaphylatoxin chemotactic receptor to polymorphonuclear leukocyte (PMNL) membrane receptor


J Med Chem 35: 220-3 (1992)


Article DOI: 10.1021/jm00080a004
BindingDB Entry DOI: 10.7270/Q21G0K7X
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
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
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
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
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
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
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
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
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
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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n/an/an/an/a 0n/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
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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n/an/an/an/a 0n/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
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
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
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
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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n/an/an/an/a 0n/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
More data for this
Ligand-Target Pair
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
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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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
More data for this
Ligand-Target Pair