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16 similar compounds to monomer 50008380

Compile data set for download or QSAR
Wt: 1021.1
BDBM50008382
Wt: 994.1
BDBM50008370
Wt: 980.1
BDBM50008372
Wt: 1648.9
BDBM50008373
Wt: 979.1
BDBM50008374
Wt: 994.1
BDBM50008377
Wt: 1194.4
BDBM50008381
Wt: 1379.5
BDBM50008383
Wt: 1244.4
BDBM50033562
Wt: 1258.4
BDBM50033568
Wt: 1258.4
BDBM50033570
Wt: 1284.4
BDBM50033574
Wt: 2126.3
BDBM50108543
Wt: 3001.3
BDBM50172736
Wt: 2561.8
BDBM50172733
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50008382,50008370,50008372,50008373,50008374,50008377,50008381,50008383,50033562,50033568,50033570,50033574,50108543,50172736,50172733   
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))
BDBM50008382
PNG
(Ac-Phe-Lys-AspMet-GIn-Leu-Gly-Arg-OH | CHEMBL23706...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1ccccc1)C(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C45H72N12O13S/c1-25(2)21-33(39(64)51-24-36(60)52-32(44(69)70)14-10-19-50-45(48)49)56-41(66)30(15-16-35(47)59)54-42(67)31(17-20-71-4)55-43(68)34(23-37(61)62)57-40(65)29(13-8-9-18-46)53-38(63)28(26(3)58)22-27-11-6-5-7-12-27/h5-7,11-12,25,28-34H,8-10,13-24,46H2,1-4H3,(H2,47,59)(H,51,64)(H,52,60)(H,53,63)(H,54,67)(H,55,68)(H,56,66)(H,57,65)(H,61,62)(H,69,70)(H4,48,49,50)/t28-,29-,30-,31-,32-,33-,34-/m0/s1
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200n/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))
BDBM50008383
PNG
(CHEMBL408929 | H-Ala-Asn-Ile-Ser-Phe-Lys-AspMet-GI...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)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/C59H98N18O18S/c1-7-31(4)47(77-55(91)40(26-44(63)80)72-48(84)32(5)61)57(93)76-42(29-78)56(92)74-39(25-33-14-9-8-10-15-33)53(89)69-34(16-11-12-21-60)50(86)75-41(27-46(82)83)54(90)71-36(20-23-96-6)52(88)70-35(18-19-43(62)79)51(87)73-38(24-30(2)3)49(85)67-28-45(81)68-37(58(94)95)17-13-22-66-59(64)65/h8-10,14-15,30-32,34-42,47,78H,7,11-13,16-29,60-61H2,1-6H3,(H2,62,79)(H2,63,80)(H,67,85)(H,68,81)(H,69,89)(H,70,88)(H,71,90)(H,72,84)(H,73,87)(H,74,92)(H,75,86)(H,76,93)(H,77,91)(H,82,83)(H,94,95)(H4,64,65,66)/t31-,32-,34-,35-,36-,37-,38-,39-,40-,41-,42-,47-/m0/s1
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220n/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))
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
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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))
BDBM50008381
PNG
(CHEMBL441393 | H-Ile-Ser-Phe-Lys-AspMet-GIn-Leu-Gl...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)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/C52H87N15O15S/c1-6-29(4)42(55)50(80)67-38(27-68)49(79)65-36(24-30-13-8-7-9-14-30)47(77)61-31(15-10-11-20-53)44(74)66-37(25-41(71)72)48(78)63-33(19-22-83-5)46(76)62-32(17-18-39(54)69)45(75)64-35(23-28(2)3)43(73)59-26-40(70)60-34(51(81)82)16-12-21-58-52(56)57/h7-9,13-14,28-29,31-38,42,68H,6,10-12,15-27,53,55H2,1-5H3,(H2,54,69)(H,59,73)(H,60,70)(H,61,77)(H,62,76)(H,63,78)(H,64,75)(H,65,79)(H,66,74)(H,67,80)(H,71,72)(H,81,82)(H4,56,57,58)/t29-,31-,32-,33-,34-,35-,36-,37-,38-,42-/m0/s1
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390n/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))
BDBM50008373
PNG
(CHEMBL439468 | H-Leu-Arg-Ala-Asn-Ile-Ser-Phe-Lys-A...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)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/C71H121N23O20S/c1-9-38(6)56(94-66(110)49(32-53(75)97)89-57(101)39(7)83-60(104)43(20-15-26-80-70(76)77)85-58(102)41(73)29-36(2)3)68(112)93-51(35-95)67(111)91-48(31-40-17-11-10-12-18-40)64(108)86-42(19-13-14-25-72)61(105)92-50(33-55(99)100)65(109)88-45(24-28-115-8)63(107)87-44(22-23-52(74)96)62(106)90-47(30-37(4)5)59(103)82-34-54(98)84-46(69(113)114)21-16-27-81-71(78)79/h10-12,17-18,36-39,41-51,56,95H,9,13-16,19-35,72-73H2,1-8H3,(H2,74,96)(H2,75,97)(H,82,103)(H,83,104)(H,84,98)(H,85,102)(H,86,108)(H,87,107)(H,88,109)(H,89,101)(H,90,106)(H,91,111)(H,92,105)(H,93,112)(H,94,110)(H,99,100)(H,113,114)(H4,76,77,80)(H4,78,79,81)/t38-,39-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,56-/m0/s1
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810n/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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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))
BDBM50008372
PNG
(CHEMBL408493 | H-Phg-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)c1ccccc1)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/C42H69N13O12S/c1-23(2)20-29(35(60)49-22-32(57)50-28(41(66)67)13-9-18-48-42(46)47)54-37(62)26(14-15-31(44)56)51-38(63)27(16-19-68-3)52-39(64)30(21-33(58)59)55-36(61)25(12-7-8-17-43)53-40(65)34(45)24-10-5-4-6-11-24/h4-6,10-11,23,25-30,34H,7-9,12-22,43,45H2,1-3H3,(H2,44,56)(H,49,60)(H,50,57)(H,51,63)(H,52,64)(H,53,65)(H,54,62)(H,55,61)(H,58,59)(H,66,67)(H4,46,47,48)/t25-,26-,27-,28-,29-,30-,34+/m0/s1
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3.10E+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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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
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50033562
PNG
(CHEMBL406011 | Tyr-Ser-Phe-LyS-Asp-Met-Glu-Leu-Gly...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)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/C55H85N15O16S/c1-30(2)24-39(47(78)62-28-44(74)63-38(54(85)86)13-9-22-61-55(59)60)67-49(80)36(18-19-43(58)73)65-50(81)37(20-23-87-3)66-52(83)41(27-45(75)76)69-48(79)35(12-7-8-21-56)64-51(82)40(26-31-10-5-4-6-11-31)68-53(84)42(29-71)70-46(77)34(57)25-32-14-16-33(72)17-15-32/h4-6,10-11,14-17,30,34-42,71-72H,7-9,12-13,18-29,56-57H2,1-3H3,(H2,58,73)(H,62,78)(H,63,74)(H,64,82)(H,65,81)(H,66,83)(H,67,80)(H,68,84)(H,69,79)(H,70,77)(H,75,76)(H,85,86)(H4,59,60,61)/t34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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n/an/an/an/a 5.00E+4n/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Release of beta-glucuronidase from human polymorphonuclear leukocytes(PMN)


J Med Chem 38: 3669-75 (1995)


Article DOI: 10.1021/jm00018a028
BindingDB Entry DOI: 10.7270/Q23777RC
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50008381
PNG
(CHEMBL441393 | H-Ile-Ser-Phe-Lys-AspMet-GIn-Leu-Gl...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)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/C52H87N15O15S/c1-6-29(4)42(55)50(80)67-38(27-68)49(79)65-36(24-30-13-8-7-9-14-30)47(77)61-31(15-10-11-20-53)44(74)66-37(25-41(71)72)48(78)63-33(19-22-83-5)46(76)62-32(17-18-39(54)69)45(75)64-35(23-28(2)3)43(73)59-26-40(70)60-34(51(81)82)16-12-21-58-52(56)57/h7-9,13-14,28-29,31-38,42,68H,6,10-12,15-27,53,55H2,1-5H3,(H2,54,69)(H,59,73)(H,60,70)(H,61,77)(H,62,76)(H,63,78)(H,64,75)(H,65,79)(H,66,74)(H,67,80)(H,71,72)(H,81,82)(H4,56,57,58)/t29-,31-,32-,33-,34-,35-,36-,37-,38-,42-/m0/s1
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n/an/an/an/a 6.77E+4n/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Release of beta-glucuronidase from human polymorphonuclear leukocytes(PMN)


J Med Chem 38: 3669-75 (1995)


Article DOI: 10.1021/jm00018a028
BindingDB Entry DOI: 10.7270/Q23777RC
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50033574
PNG
(CHEMBL261966 | Tyr-Ser-Phe-Lys-Asp-Met-Gln-Leu-Pro...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C58H89N15O16S/c1-32(2)27-43(56(87)73-25-10-15-45(73)55(86)68-40(57(88)89)14-9-24-64-58(62)63)71-50(81)38(20-21-46(61)76)66-51(82)39(22-26-90-3)67-53(84)42(30-47(77)78)70-49(80)37(13-7-8-23-59)65-52(83)41(29-33-11-5-4-6-12-33)69-54(85)44(31-74)72-48(79)36(60)28-34-16-18-35(75)19-17-34/h4-6,11-12,16-19,32,36-45,74-75H,7-10,13-15,20-31,59-60H2,1-3H3,(H2,61,76)(H,65,83)(H,66,82)(H,67,84)(H,68,86)(H,69,85)(H,70,80)(H,71,81)(H,72,79)(H,77,78)(H,88,89)(H4,62,63,64)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Release of beta-glucuronidase from human polymorphonuclear leukocytes(PMN)


J Med Chem 38: 3669-75 (1995)


Article DOI: 10.1021/jm00018a028
BindingDB Entry DOI: 10.7270/Q23777RC
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50008381
PNG
(CHEMBL441393 | H-Ile-Ser-Phe-Lys-AspMet-GIn-Leu-Gl...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)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/C52H87N15O15S/c1-6-29(4)42(55)50(80)67-38(27-68)49(79)65-36(24-30-13-8-7-9-14-30)47(77)61-31(15-10-11-20-53)44(74)66-37(25-41(71)72)48(78)63-33(19-22-83-5)46(76)62-32(17-18-39(54)69)45(75)64-35(23-28(2)3)43(73)59-26-40(70)60-34(51(81)82)16-12-21-58-52(56)57/h7-9,13-14,28-29,31-38,42,68H,6,10-12,15-27,53,55H2,1-5H3,(H2,54,69)(H,59,73)(H,60,70)(H,61,77)(H,62,76)(H,63,78)(H,64,75)(H,65,79)(H,66,74)(H,67,80)(H,71,72)(H,81,82)(H4,56,57,58)/t29-,31-,32-,33-,34-,35-,36-,37-,38-,42-/m0/s1
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n/an/an/an/a 900n/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Abilitiy to induce shape change (polarization) in human polymorphonuclear leukocytes (PMN)


J Med Chem 38: 3669-75 (1995)


Article DOI: 10.1021/jm00018a028
BindingDB Entry DOI: 10.7270/Q23777RC
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50033562
PNG
(CHEMBL406011 | Tyr-Ser-Phe-LyS-Asp-Met-Glu-Leu-Gly...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)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/C55H85N15O16S/c1-30(2)24-39(47(78)62-28-44(74)63-38(54(85)86)13-9-22-61-55(59)60)67-49(80)36(18-19-43(58)73)65-50(81)37(20-23-87-3)66-52(83)41(27-45(75)76)69-48(79)35(12-7-8-21-56)64-51(82)40(26-31-10-5-4-6-11-31)68-53(84)42(29-71)70-46(77)34(57)25-32-14-16-33(72)17-15-32/h4-6,10-11,14-17,30,34-42,71-72H,7-9,12-13,18-29,56-57H2,1-3H3,(H2,58,73)(H,62,78)(H,63,74)(H,64,82)(H,65,81)(H,66,83)(H,67,80)(H,68,84)(H,69,79)(H,70,77)(H,75,76)(H,85,86)(H4,59,60,61)/t34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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n/an/an/an/a 3.70E+4n/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Abilitiy to induce shape change (polarization) in human polymorphonuclear leukocytes (PMN)


J Med Chem 38: 3669-75 (1995)


Article DOI: 10.1021/jm00018a028
BindingDB Entry DOI: 10.7270/Q23777RC
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50033570
PNG
(CHEMBL265884 | Tyr-Ser-Phe-Lys-Asp-Met-Gln-Leu-D-A...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C56H87N15O16S/c1-30(2)25-40(51(82)63-31(3)46(77)67-39(55(86)87)14-10-23-62-56(60)61)68-49(80)37(19-20-44(59)74)65-50(81)38(21-24-88-4)66-53(84)42(28-45(75)76)70-48(79)36(13-8-9-22-57)64-52(83)41(27-32-11-6-5-7-12-32)69-54(85)43(29-72)71-47(78)35(58)26-33-15-17-34(73)18-16-33/h5-7,11-12,15-18,30-31,35-43,72-73H,8-10,13-14,19-29,57-58H2,1-4H3,(H2,59,74)(H,63,82)(H,64,83)(H,65,81)(H,66,84)(H,67,77)(H,68,80)(H,69,85)(H,70,79)(H,71,78)(H,75,76)(H,86,87)(H4,60,61,62)/t31-,35+,36+,37+,38+,39+,40+,41+,42+,43+/m1/s1
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n/an/an/an/a 3.20E+4n/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Release of beta-glucuronidase from human polymorphonuclear leukocytes(PMN)


J Med Chem 38: 3669-75 (1995)


Article DOI: 10.1021/jm00018a028
BindingDB Entry DOI: 10.7270/Q23777RC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50108543
PNG
(CHEMBL405808 | NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C89H144N24O34S/c1-11-41(5)68(112-81(139)56(37-60(92)118)107-83(141)66(93)44(8)115)85(143)102-47(21-16-17-32-90)75(133)113-70(45(9)116)87(145)103-49(24-28-62(121)122)72(130)99-51(26-30-64(125)126)77(135)111-69(42(6)12-2)86(144)109-58(39-114)82(140)100-50(25-29-63(123)124)76(134)110-67(40(3)4)84(142)108-55(36-59(91)117)80(138)101-52(31-34-148-10)74(132)106-57(38-65(127)128)78(136)97-43(7)71(129)98-48(23-27-61(119)120)73(131)105-54(35-46-19-14-13-15-20-46)79(137)104-53(88(146)147)22-18-33-96-89(94)95/h13-15,19-20,40-45,47-58,66-70,114-116H,11-12,16-18,21-39,90,93H2,1-10H3,(H2,91,117)(H2,92,118)(H,97,136)(H,98,129)(H,99,130)(H,100,140)(H,101,138)(H,102,143)(H,103,145)(H,104,137)(H,105,131)(H,106,132)(H,107,141)(H,108,142)(H,109,144)(H,110,134)(H,111,135)(H,112,139)(H,113,133)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,146,147)(H4,94,95,96)/t41-,42-,43-,44+,45+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,66-,67-,68-,69-,70-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay


J Med Chem 45: 259-62 (2002)


Article DOI: 10.1021/jm0155695
BindingDB Entry DOI: 10.7270/Q23F4QC5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50172733
PNG
(CHEMBL411219 | QRYGRELRRMSDEFEGSFKGL)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C110H173N35O34S/c1-57(2)46-73(140-97(169)70(33-37-86(155)156)137-93(165)65(23-14-41-122-107(114)115)129-82(150)52-128-92(164)74(50-61-27-29-62(148)30-28-61)141-96(168)66(24-15-42-123-108(116)117)132-89(161)63(112)31-35-81(113)149)100(172)135-68(26-17-44-125-110(120)121)94(166)134-67(25-16-43-124-109(118)119)95(167)139-72(39-45-180-5)99(171)145-80(56-147)105(177)144-77(51-88(159)160)103(175)138-71(34-38-87(157)158)98(170)142-75(48-59-18-8-6-9-19-59)102(174)136-69(32-36-85(153)154)91(163)127-54-84(152)131-79(55-146)104(176)143-76(49-60-20-10-7-11-21-60)101(173)133-64(22-12-13-40-111)90(162)126-53-83(151)130-78(106(178)179)47-58(3)4/h6-11,18-21,27-30,57-58,63-80,146-148H,12-17,22-26,31-56,111-112H2,1-5H3,(H2,113,149)(H,126,162)(H,127,163)(H,128,164)(H,129,150)(H,130,151)(H,131,152)(H,132,161)(H,133,173)(H,134,166)(H,135,172)(H,136,174)(H,137,165)(H,138,175)(H,139,167)(H,140,169)(H,141,168)(H,142,170)(H,143,176)(H,144,177)(H,145,171)(H,153,154)(H,155,156)(H,157,158)(H,159,160)(H,178,179)(H4,114,115,122)(H4,116,117,123)(H4,118,119,124)(H4,120,121,125)/t63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-/m0/s1
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n/an/a 1.75E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of BCL2 by fluorescence polarization based competitive binding assay


Bioorg Med Chem Lett 15: 4467-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.031
BindingDB Entry DOI: 10.7270/Q2VD6Z0C
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50033568
PNG
(CHEMBL386427 | Tyr-Ser-Phe-Lys-Asp-Met-Gln-Leu-Ala...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C56H87N15O16S/c1-30(2)25-40(51(82)63-31(3)46(77)67-39(55(86)87)14-10-23-62-56(60)61)68-49(80)37(19-20-44(59)74)65-50(81)38(21-24-88-4)66-53(84)42(28-45(75)76)70-48(79)36(13-8-9-22-57)64-52(83)41(27-32-11-6-5-7-12-32)69-54(85)43(29-72)71-47(78)35(58)26-33-15-17-34(73)18-16-33/h5-7,11-12,15-18,30-31,35-43,72-73H,8-10,13-14,19-29,57-58H2,1-4H3,(H2,59,74)(H,63,82)(H,64,83)(H,65,81)(H,66,84)(H,67,77)(H,68,80)(H,69,85)(H,70,79)(H,71,78)(H,75,76)(H,86,87)(H4,60,61,62)/t31-,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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n/an/an/an/a 4.80E+4n/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Abilitiy to induce shape change (polarization) in human polymorphonuclear leukocytes (PMN)


J Med Chem 38: 3669-75 (1995)


Article DOI: 10.1021/jm00018a028
BindingDB Entry DOI: 10.7270/Q23777RC
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50033574
PNG
(CHEMBL261966 | Tyr-Ser-Phe-Lys-Asp-Met-Gln-Leu-Pro...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C58H89N15O16S/c1-32(2)27-43(56(87)73-25-10-15-45(73)55(86)68-40(57(88)89)14-9-24-64-58(62)63)71-50(81)38(20-21-46(61)76)66-51(82)39(22-26-90-3)67-53(84)42(30-47(77)78)70-49(80)37(13-7-8-23-59)65-52(83)41(29-33-11-5-4-6-12-33)69-54(85)44(31-74)72-48(79)36(60)28-34-16-18-35(75)19-17-34/h4-6,11-12,16-19,32,36-45,74-75H,7-10,13-15,20-31,59-60H2,1-3H3,(H2,61,76)(H,65,83)(H,66,82)(H,67,84)(H,68,86)(H,69,85)(H,70,80)(H,71,81)(H,72,79)(H,77,78)(H,88,89)(H4,62,63,64)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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n/an/an/an/a 5.00E+5n/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Abilitiy to induce shape change (polarization) in human polymorphonuclear leukocytes (PMN)


J Med Chem 38: 3669-75 (1995)


Article DOI: 10.1021/jm00018a028
BindingDB Entry DOI: 10.7270/Q23777RC
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50033568
PNG
(CHEMBL386427 | Tyr-Ser-Phe-Lys-Asp-Met-Gln-Leu-Ala...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C56H87N15O16S/c1-30(2)25-40(51(82)63-31(3)46(77)67-39(55(86)87)14-10-23-62-56(60)61)68-49(80)37(19-20-44(59)74)65-50(81)38(21-24-88-4)66-53(84)42(28-45(75)76)70-48(79)36(13-8-9-22-57)64-52(83)41(27-32-11-6-5-7-12-32)69-54(85)43(29-72)71-47(78)35(58)26-33-15-17-34(73)18-16-33/h5-7,11-12,15-18,30-31,35-43,72-73H,8-10,13-14,19-29,57-58H2,1-4H3,(H2,59,74)(H,63,82)(H,64,83)(H,65,81)(H,66,84)(H,67,77)(H,68,80)(H,69,85)(H,70,79)(H,71,78)(H,75,76)(H,86,87)(H4,60,61,62)/t31-,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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n/an/an/an/a 1.00E+6n/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Release of beta-glucuronidase from human polymorphonuclear leukocytes(PMN)


J Med Chem 38: 3669-75 (1995)


Article DOI: 10.1021/jm00018a028
BindingDB Entry DOI: 10.7270/Q23777RC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50172736
PNG
(CHEMBL409227 | NLAAAQRYGRELRRMSDEFEGSFKGL)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C130H206N40O40S/c1-65(2)52-86(164-104(187)68(7)55-96(133)175)119(202)151-70(9)106(189)149-69(8)105(188)150-71(10)107(190)155-82(37-41-95(132)174)115(198)158-80(32-23-50-145-130(140)141)114(197)166-88(58-74-33-35-75(173)36-34-74)110(193)148-60-97(176)152-77(29-20-47-142-127(134)135)111(194)161-83(39-43-101(181)182)116(199)165-87(53-66(3)4)120(203)159-79(31-22-49-144-129(138)139)112(195)157-78(30-21-48-143-128(136)137)113(196)163-85(45-51-211-11)118(201)170-94(64-172)125(208)169-91(59-103(185)186)123(206)162-84(40-44-102(183)184)117(200)167-89(56-72-24-14-12-15-25-72)122(205)160-81(38-42-100(179)180)109(192)147-62-99(178)154-93(63-171)124(207)168-90(57-73-26-16-13-17-27-73)121(204)156-76(28-18-19-46-131)108(191)146-61-98(177)153-92(126(209)210)54-67(5)6/h12-17,24-27,33-36,65-71,76-94,171-173H,18-23,28-32,37-64,131H2,1-11H3,(H2,132,174)(H2,133,175)(H,146,191)(H,147,192)(H,148,193)(H,149,189)(H,150,188)(H,151,202)(H,152,176)(H,153,177)(H,154,178)(H,155,190)(H,156,204)(H,157,195)(H,158,198)(H,159,203)(H,160,205)(H,161,194)(H,162,206)(H,163,196)(H,164,187)(H,165,199)(H,166,197)(H,167,200)(H,168,207)(H,169,208)(H,170,201)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H,209,210)(H4,134,135,142)(H4,136,137,143)(H4,138,139,144)(H4,140,141,145)/t68-,69-,70-,71-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-/m0/s1
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n/an/a 410n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of BCL2 by fluorescence polarization based competitive binding assay


Bioorg Med Chem Lett 15: 4467-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.031
BindingDB Entry DOI: 10.7270/Q2VD6Z0C
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50008383
PNG
(CHEMBL408929 | H-Ala-Asn-Ile-Ser-Phe-Lys-AspMet-GI...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)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/C59H98N18O18S/c1-7-31(4)47(77-55(91)40(26-44(63)80)72-48(84)32(5)61)57(93)76-42(29-78)56(92)74-39(25-33-14-9-8-10-15-33)53(89)69-34(16-11-12-21-60)50(86)75-41(27-46(82)83)54(90)71-36(20-23-96-6)52(88)70-35(18-19-43(62)79)51(87)73-38(24-30(2)3)49(85)67-28-45(81)68-37(58(94)95)17-13-22-66-59(64)65/h8-10,14-15,30-32,34-42,47,78H,7,11-13,16-29,60-61H2,1-6H3,(H2,62,79)(H2,63,80)(H,67,85)(H,68,81)(H,69,89)(H,70,88)(H,71,90)(H,72,84)(H,73,87)(H,74,92)(H,75,86)(H,76,93)(H,77,91)(H,82,83)(H,94,95)(H4,64,65,66)/t31-,32-,34-,35-,36-,37-,38-,39-,40-,41-,42-,47-/m0/s1
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n/an/an/an/a 3.30E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vivo potency of the compound was determined as the maximal lysosomal myeloperoxidase (MPO) release in PMNL assay


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
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50008381
PNG
(CHEMBL441393 | H-Ile-Ser-Phe-Lys-AspMet-GIn-Leu-Gl...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)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/C52H87N15O15S/c1-6-29(4)42(55)50(80)67-38(27-68)49(79)65-36(24-30-13-8-7-9-14-30)47(77)61-31(15-10-11-20-53)44(74)66-37(25-41(71)72)48(78)63-33(19-22-83-5)46(76)62-32(17-18-39(54)69)45(75)64-35(23-28(2)3)43(73)59-26-40(70)60-34(51(81)82)16-12-21-58-52(56)57/h7-9,13-14,28-29,31-38,42,68H,6,10-12,15-27,53,55H2,1-5H3,(H2,54,69)(H,59,73)(H,60,70)(H,61,77)(H,62,76)(H,63,78)(H,64,75)(H,65,79)(H,66,74)(H,67,80)(H,71,72)(H,81,82)(H4,56,57,58)/t29-,31-,32-,33-,34-,35-,36-,37-,38-,42-/m0/s1
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n/an/an/an/a 6.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vivo potency of the compound was determined as the maximal lysosomal myeloperoxidase (MPO) release in PMNL assay


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
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50008382
PNG
(Ac-Phe-Lys-AspMet-GIn-Leu-Gly-Arg-OH | CHEMBL23706...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1ccccc1)C(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C45H72N12O13S/c1-25(2)21-33(39(64)51-24-36(60)52-32(44(69)70)14-10-19-50-45(48)49)56-41(66)30(15-16-35(47)59)54-42(67)31(17-20-71-4)55-43(68)34(23-37(61)62)57-40(65)29(13-8-9-18-46)53-38(63)28(26(3)58)22-27-11-6-5-7-12-27/h5-7,11-12,25,28-34H,8-10,13-24,46H2,1-4H3,(H2,47,59)(H,51,64)(H,52,60)(H,53,63)(H,54,67)(H,55,68)(H,56,66)(H,57,65)(H,61,62)(H,69,70)(H4,48,49,50)/t28-,29-,30-,31-,32-,33-,34-/m0/s1
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n/an/an/an/a 3.50E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vivo potency of the compound was determined as the maximal lysosomal myeloperoxidase (MPO) release in PMNL assay


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
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50008373
PNG
(CHEMBL439468 | H-Leu-Arg-Ala-Asn-Ile-Ser-Phe-Lys-A...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)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/C71H121N23O20S/c1-9-38(6)56(94-66(110)49(32-53(75)97)89-57(101)39(7)83-60(104)43(20-15-26-80-70(76)77)85-58(102)41(73)29-36(2)3)68(112)93-51(35-95)67(111)91-48(31-40-17-11-10-12-18-40)64(108)86-42(19-13-14-25-72)61(105)92-50(33-55(99)100)65(109)88-45(24-28-115-8)63(107)87-44(22-23-52(74)96)62(106)90-47(30-37(4)5)59(103)82-34-54(98)84-46(69(113)114)21-16-27-81-71(78)79/h10-12,17-18,36-39,41-51,56,95H,9,13-16,19-35,72-73H2,1-8H3,(H2,74,96)(H2,75,97)(H,82,103)(H,83,104)(H,84,98)(H,85,102)(H,86,108)(H,87,107)(H,88,109)(H,89,101)(H,90,106)(H,91,111)(H,92,105)(H,93,112)(H,94,110)(H,99,100)(H,113,114)(H4,76,77,80)(H4,78,79,81)/t38-,39-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,56-/m0/s1
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n/an/an/an/a 6.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vivo potency of the compound was determined as the maximal lysosomal myeloperoxidase (MPO) release in PMNL assay


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))
BDBM50033570
PNG
(CHEMBL265884 | Tyr-Ser-Phe-Lys-Asp-Met-Gln-Leu-D-A...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C56H87N15O16S/c1-30(2)25-40(51(82)63-31(3)46(77)67-39(55(86)87)14-10-23-62-56(60)61)68-49(80)37(19-20-44(59)74)65-50(81)38(21-24-88-4)66-53(84)42(28-45(75)76)70-48(79)36(13-8-9-22-57)64-52(83)41(27-32-11-6-5-7-12-32)69-54(85)43(29-72)71-47(78)35(58)26-33-15-17-34(73)18-16-33/h5-7,11-12,15-18,30-31,35-43,72-73H,8-10,13-14,19-29,57-58H2,1-4H3,(H2,59,74)(H,63,82)(H,64,83)(H,65,81)(H,66,84)(H,67,77)(H,68,80)(H,69,85)(H,70,79)(H,71,78)(H,75,76)(H,86,87)(H4,60,61,62)/t31-,35+,36+,37+,38+,39+,40+,41+,42+,43+/m1/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Abilitiy to induce shape change (polarization) in human polymorphonuclear leukocytes (PMN)


J Med Chem 38: 3669-75 (1995)


Article DOI: 10.1021/jm00018a028
BindingDB Entry DOI: 10.7270/Q23777RC
More data for this
Ligand-Target Pair