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PubMed code 1732557

Compile data set for download or QSAR
Found 20 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 (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))
BDBM50008371
PNG
(CHEMBL127385 | H-Thi-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)Cc1cccs1)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/C41H69N13O12S2/c1-22(2)18-29(35(60)48-21-32(56)49-28(40(65)66)10-6-15-47-41(45)46)53-37(62)26(11-12-31(44)55)51-38(63)27(13-17-67-3)52-39(64)30(20-33(57)58)54-36(61)25(9-4-5-14-42)50-34(59)24(43)19-23-8-7-16-68-23/h7-8,16,22,24-30H,4-6,9-15,17-21,42-43H2,1-3H3,(H2,44,55)(H,48,60)(H,49,56)(H,50,59)(H,51,63)(H,52,64)(H,53,62)(H,54,61)(H,57,58)(H,65,66)(H4,45,46,47)/t24-,25+,26+,27+,28+,29+,30+/m1/s1
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2.10E+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))
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))
BDBM50008379
PNG
(CHEMBL339127 | H-Cha-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/C43H77N13O12S/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/h24-32H,4-23,44-45H2,1-3H3,(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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1.30E+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))
BDBM50008375
PNG
(CHEMBL128360 | H-Thia-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](C)Nc1nccs1)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/C40H68N14O12S2/c1-21(2)18-27(33(60)47-20-30(56)49-26(38(65)66)9-7-14-45-39(43)44)53-35(62)24(10-11-29(42)55)51-36(63)25(12-16-67-4)52-37(64)28(19-31(57)58)54-34(61)23(8-5-6-13-41)50-32(59)22(3)48-40-46-15-17-68-40/h15,17,21-28H,5-14,16,18-20,41H2,1-4H3,(H2,42,55)(H,46,48)(H,47,60)(H,49,56)(H,50,59)(H,51,63)(H,52,64)(H,53,62)(H,54,61)(H,57,58)(H,65,66)(H4,43,44,45)/t22-,23+,24+,25+,26+,27+,28+/m1/s1
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2.00E+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))
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))
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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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))
BDBM50008384
PNG
(CHEMBL336081 | H-His(3Me)-Lys-AspMet-GIn-Leu-Gly-A...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC1=NCN(C)C1)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/C41H73N15O12S/c1-22(2)16-29(35(62)48-19-32(58)50-28(40(67)68)9-7-14-47-41(45)46)54-37(64)26(10-11-31(44)57)52-38(65)27(12-15-69-4)53-39(66)30(18-33(59)60)55-36(63)25(8-5-6-13-42)51-34(61)24(43)17-23-20-56(3)21-49-23/h22,24-30H,5-21,42-43H2,1-4H3,(H2,44,57)(H,48,62)(H,50,58)(H,51,61)(H,52,65)(H,53,66)(H,54,64)(H,55,63)(H,59,60)(H,67,68)(H4,45,46,47)/t24-,25-,26-,27-,28-,29-,30-/m0/s1
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5.80E+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))
BDBM50008378
PNG
(CHEMBL129978 | H-His(1Me)-Lys-AspMet-GIn-Leu-Gly-A...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cncn1C)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/C41H71N15O12S/c1-22(2)16-29(35(62)49-20-32(58)50-28(40(67)68)9-7-14-48-41(45)46)54-37(64)26(10-11-31(44)57)52-38(65)27(12-15-69-4)53-39(66)30(18-33(59)60)55-36(63)25(8-5-6-13-42)51-34(61)24(43)17-23-19-47-21-56(23)3/h19,21-22,24-30H,5-18,20,42-43H2,1-4H3,(H2,44,57)(H,49,62)(H,50,58)(H,51,61)(H,52,65)(H,53,66)(H,54,64)(H,55,63)(H,59,60)(H,67,68)(H4,45,46,48)/t24-,25-,26-,27-,28-,29-,30-/m0/s1
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1.80E+5n/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))
BDBM50008376
PNG
(2-[2-(2-{2-[2-(2-{6-Amino-2-[2-amino-3-(3H-imidazo...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)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/C40H69N15O12S/c1-21(2)15-28(34(61)48-19-31(57)50-27(39(66)67)8-6-13-47-40(44)45)54-36(63)25(9-10-30(43)56)52-37(64)26(11-14-68-3)53-38(65)29(17-32(58)59)55-35(62)24(7-4-5-12-41)51-33(60)23(42)16-22-18-46-20-49-22/h18,20-21,23-29H,4-17,19,41-42H2,1-3H3,(H2,43,56)(H,46,49)(H,48,61)(H,50,57)(H,51,60)(H,52,64)(H,53,65)(H,54,63)(H,55,62)(H,58,59)(H,66,67)(H4,44,45,47)/t23-,24-,25-,26-,27-,28-,29-/m0/s1
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3.00E+5n/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
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))
BDBM50008371
PNG
(CHEMBL127385 | H-Thi-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)Cc1cccs1)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/C41H69N13O12S2/c1-22(2)18-29(35(60)48-21-32(56)49-28(40(65)66)10-6-15-47-41(45)46)53-37(62)26(11-12-31(44)55)51-38(63)27(13-17-67-3)52-39(64)30(20-33(57)58)54-36(61)25(9-4-5-14-42)50-34(59)24(43)19-23-8-7-16-68-23/h7-8,16,22,24-30H,4-6,9-15,17-21,42-43H2,1-3H3,(H2,44,55)(H,48,60)(H,49,56)(H,50,59)(H,51,63)(H,52,64)(H,53,62)(H,54,61)(H,57,58)(H,65,66)(H4,45,46,47)/t24-,25+,26+,27+,28+,29+,30+/m1/s1
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n/an/an/an/a 2.00E+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))
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
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
* indicates data uncertainty>20%