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5 similar compounds to monomer 50008382

Compile data set for download or QSAR
Wt: 994.1
BDBM50008370
Wt: 979.1
BDBM50008374
Wt: 994.1
BDBM50008377
Wt: 1008.1
BDBM50008380
Wt: 2792.3
BDBM50440860

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50008370,50008374,50008377,50008380,50440860   
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 (C5aR)


(Homo sapiens (Human))
BDBM50008377
PNG
(CHEMBL132959 | H-Phe-Lys-AspMet-GIn-Leu-Gly-Arg-OH)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C43H71N13O12S/c1-24(2)20-31(37(62)50-23-34(58)51-30(42(67)68)13-9-18-49-43(47)48)55-39(64)28(14-15-33(46)57)53-40(65)29(16-19-69-3)54-41(66)32(22-35(59)60)56-38(63)27(12-7-8-17-44)52-36(61)26(45)21-25-10-5-4-6-11-25/h4-6,10-11,24,26-32H,7-9,12-23,44-45H2,1-3H3,(H2,46,57)(H,50,62)(H,51,58)(H,52,61)(H,53,65)(H,54,66)(H,55,64)(H,56,63)(H,59,60)(H,67,68)(H4,47,48,49)/t26-,27-,28-,29-,30-,31-,32-/m0/s1
PDB

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PubMed
260n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-rC5a binding to C5a anaphylatoxin chemotactic receptor in human polymorphonuclear leukocyte (PMNL) membranes


J Med Chem 35: 402-6 (1992)


Article DOI: 10.1021/jm00080a030
BindingDB Entry DOI: 10.7270/Q2HH6J1S
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50008374
PNG
(CHEMBL435002 | Hca-Lys-AspMet-GIn-Leu-Gly-Arg-OH)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C43H70N12O12S/c1-25(2)22-31(37(61)49-24-35(58)51-30(42(66)67)13-9-20-48-43(46)47)54-39(63)28(15-16-33(45)56)52-40(64)29(18-21-68-3)53-41(65)32(23-36(59)60)55-38(62)27(12-7-8-19-44)50-34(57)17-14-26-10-5-4-6-11-26/h4-6,10-11,25,27-32H,7-9,12-24,44H2,1-3H3,(H2,45,56)(H,49,61)(H,50,57)(H,51,58)(H,52,64)(H,53,65)(H,54,63)(H,55,62)(H,59,60)(H,66,67)(H4,46,47,48)/t27-,28-,29-,30-,31-,32-/m0/s1
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PubMed
4.40E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-rC5a binding to C5a anaphylatoxin chemotactic receptor in human polymorphonuclear leukocyte (PMNL) membranes


J Med Chem 35: 402-6 (1992)


Article DOI: 10.1021/jm00080a030
BindingDB Entry DOI: 10.7270/Q2HH6J1S
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50008380
PNG
(CHEMBL217002 | H-hPhe-Lys-AspMet-GIn-Leu-Gly-Arg-O...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C44H73N13O12S/c1-25(2)22-32(38(63)51-24-35(59)52-31(43(68)69)13-9-20-50-44(48)49)56-40(65)29(16-17-34(47)58)54-41(66)30(18-21-70-3)55-42(67)33(23-36(60)61)57-39(64)28(12-7-8-19-45)53-37(62)27(46)15-14-26-10-5-4-6-11-26/h4-6,10-11,25,27-33H,7-9,12-24,45-46H2,1-3H3,(H2,47,58)(H,51,63)(H,52,59)(H,53,62)(H,54,66)(H,55,67)(H,56,65)(H,57,64)(H,60,61)(H,68,69)(H4,48,49,50)/t27-,28-,29-,30-,31-,32-,33-/m0/s1
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PubMed
3.60E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-rC5a binding to C5a anaphylatoxin chemotactic receptor in human polymorphonuclear leukocyte (PMNL) membranes


J Med Chem 35: 402-6 (1992)


Article DOI: 10.1021/jm00080a030
BindingDB Entry DOI: 10.7270/Q2HH6J1S
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50008370
PNG
(CHEMBL435810 | H-DPhe-Lys-AspMet-GIn-Leu-Gly-Arg-O...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C43H71N13O12S/c1-24(2)20-31(37(62)50-23-34(58)51-30(42(67)68)13-9-18-49-43(47)48)55-39(64)28(14-15-33(46)57)53-40(65)29(16-19-69-3)54-41(66)32(22-35(59)60)56-38(63)27(12-7-8-17-44)52-36(61)26(45)21-25-10-5-4-6-11-25/h4-6,10-11,24,26-32H,7-9,12-23,44-45H2,1-3H3,(H2,46,57)(H,50,62)(H,51,58)(H,52,61)(H,53,65)(H,54,66)(H,55,64)(H,56,63)(H,59,60)(H,67,68)(H4,47,48,49)/t26-,27+,28+,29+,30+,31+,32+/m1/s1
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PubMed
7.90E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-rC5a binding to C5a anaphylatoxin chemotactic receptor in human polymorphonuclear leukocyte (PMNL) membranes


J Med Chem 35: 402-6 (1992)


Article DOI: 10.1021/jm00080a030
BindingDB Entry DOI: 10.7270/Q2HH6J1S
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50440860
PNG
(CHEMBL2431720)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C122H215N37O33S2/c1-10-12-13-14-15-16-17-18-19-20-21-22-26-46-93(164)141-74(42-33-56-135-119(127)128)101(174)151-84(52-61-194-9)110(183)152-85(62-69(3)4)111(184)148-80(45-36-59-138-122(133)134)106(179)156-91(68-162)116(189)158-89(66-160)114(187)140-71(6)98(171)142-83(51-60-193-8)109(182)154-87(65-96(169)170)113(186)149-82(48-50-95(167)168)108(181)153-86(64-92(126)163)112(185)157-90(67-161)115(188)150-81(47-49-94(165)166)107(180)145-77(41-29-32-55-125)102(175)143-76(40-28-31-54-124)104(177)147-79(44-35-58-137-121(131)132)105(178)144-75(39-27-30-53-123)103(176)146-78(43-34-57-136-120(129)130)100(173)139-72(7)99(172)159-97(70(5)11-2)117(190)155-88(118(191)192)63-73-37-24-23-25-38-73/h23-25,37-38,69-72,74-91,97,160-162H,10-22,26-36,39-68,123-125H2,1-9H3,(H2,126,163)(H,139,173)(H,140,187)(H,141,164)(H,142,171)(H,143,175)(H,144,178)(H,145,180)(H,146,176)(H,147,177)(H,148,184)(H,149,186)(H,150,188)(H,151,174)(H,152,183)(H,153,181)(H,154,182)(H,155,190)(H,156,179)(H,157,185)(H,158,189)(H,159,172)(H,165,166)(H,167,168)(H,169,170)(H,191,192)(H4,127,128,135)(H4,129,130,136)(H4,131,132,137)(H4,133,134,138)/t70-,71-,72-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,97-/m0/s1
PDB

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n/an/an/an/a 25n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in African green monkey COS7 cells assessed as stimulation of inositol triphosphate production


J Med Chem 56: 7477-97 (2013)


Article DOI: 10.1021/jm400638v
BindingDB Entry DOI: 10.7270/Q2NC62MG
More data for this
Ligand-Target Pair