Found 10 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
C5a anaphylatoxin chemotactic receptor (C5aR)
(Homo sapiens (Human)) | BDBM50008226
(2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...)Show SMILES CCCC[C@H](NC(=O)[C@H](CCCC)NC(=O)[C@H](CCCC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(O)=O Show InChI InChI=1S/C44H76N14O12/c1-5-8-14-28(37(63)50-24-35(60)53-32(43(69)70)18-13-20-49-44(46)47)54-38(64)29(15-9-6-2)55-39(65)30(16-10-7-3)56-42(68)34(22-36(61)62)58-40(66)31(17-11-12-19-45)57-41(67)33(52-26(4)59)21-27-23-48-25-51-27/h23,25,28-34H,5-22,24,45H2,1-4H3,(H,48,51)(H,50,63)(H,52,59)(H,53,60)(H,54,64)(H,55,65)(H,56,68)(H,57,67)(H,58,66)(H,61,62)(H,69,70)(H4,46,47,49)/t28-,29-,30-,31-,32-,33-,34-/m0/s1 | PDB
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PC sid
UniChem
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| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
Citation and Details
|
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor (C5aR)
(Homo sapiens (Human)) | BDBM50008231
(2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...)Show SMILES CC[C@H](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/C51H86N14O12/c1-5-29(2)42(49(75)58-30(3)43(69)61-36(50(76)77)20-14-22-56-51(53)54)65-48(74)38(24-33-17-10-7-11-18-33)63-45(71)37(23-32-15-8-6-9-16-32)62-47(73)40(26-41(67)68)64-44(70)35(19-12-13-21-52)60-46(72)39(59-31(4)66)25-34-27-55-28-57-34/h27-30,32-33,35-40,42H,5-26,52H2,1-4H3,(H,55,57)(H,58,75)(H,59,66)(H,60,72)(H,61,69)(H,62,73)(H,63,71)(H,64,70)(H,65,74)(H,67,68)(H,76,77)(H4,53,54,56)/t29-,30-,35-,36-,37-,38-,39-,40-,42-/m0/s1 | PDB
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| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
Citation and Details
|
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor (C5aR)
(Homo sapiens (Human)) | BDBM50008232
(2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...)Show SMILES CC(C)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/C51H86N14O12/c1-29(2)22-37(45(71)58-30(3)43(69)61-36(50(76)77)19-13-21-56-51(53)54)62-46(72)38(23-32-14-7-5-8-15-32)63-47(73)39(24-33-16-9-6-10-17-33)64-49(75)41(26-42(67)68)65-44(70)35(18-11-12-20-52)60-48(74)40(59-31(4)66)25-34-27-55-28-57-34/h27-30,32-33,35-41H,5-26,52H2,1-4H3,(H,55,57)(H,58,71)(H,59,66)(H,60,74)(H,61,69)(H,62,72)(H,63,73)(H,64,75)(H,65,70)(H,67,68)(H,76,77)(H4,53,54,56)/t30-,35-,36-,37-,38-,39-,40-,41-/m0/s1 | PDB
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| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
Citation and Details
|
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor (C5aR)
(Homo sapiens (Human)) | BDBM50008233
(2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...)Show SMILES CCC[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/c1-4-14-34(43(69)57-29(2)42(68)61-36(49(75)76)20-13-22-55-50(52)53)59-45(71)37(23-31-15-7-5-8-16-31)62-46(72)38(24-32-17-9-6-10-18-32)63-48(74)40(26-41(66)67)64-44(70)35(19-11-12-21-51)60-47(73)39(58-30(3)65)25-33-27-54-28-56-33/h27-29,31-32,34-40H,4-26,51H2,1-3H3,(H,54,56)(H,57,69)(H,58,65)(H,59,71)(H,60,73)(H,61,68)(H,62,72)(H,63,74)(H,64,70)(H,66,67)(H,75,76)(H4,52,53,55)/t29-,34-,35-,36-,37-,38-,39-,40-/m0/s1 | PDB
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| 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
Citation and Details
|
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor (C5aR)
(Homo sapiens (Human)) | BDBM50008230
(2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...)Show SMILES C[C@H](NC(=O)[C@H](CC1CCCCC1)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](CCCN=C(N)N)C(O)=O Show InChI InChI=1S/C54H90N14O12/c1-32(46(72)64-39(53(79)80)22-14-24-59-54(56)57)61-48(74)40(25-34-15-6-3-7-16-34)65-49(75)41(26-35-17-8-4-9-18-35)66-50(76)42(27-36-19-10-5-11-20-36)67-52(78)44(29-45(70)71)68-47(73)38(21-12-13-23-55)63-51(77)43(62-33(2)69)28-37-30-58-31-60-37/h30-32,34-36,38-44H,3-29,55H2,1-2H3,(H,58,60)(H,61,74)(H,62,69)(H,63,77)(H,64,72)(H,65,75)(H,66,76)(H,67,78)(H,68,73)(H,70,71)(H,79,80)(H4,56,57,59)/t32-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
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| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
Citation and Details
|
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor (C5aR)
(Homo sapiens (Human)) | BDBM50008228
(2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...)Show SMILES CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(O)=O Show InChI InChI=1S/C53H88N14O12/c1-32(68)61-42(27-36-29-57-31-60-36)50(76)63-37(20-11-12-22-54)47(73)67-43(28-45(70)71)51(77)66-41(26-35-18-9-4-10-19-35)49(75)65-40(25-34-16-7-3-8-17-34)48(74)64-39(24-33-14-5-2-6-15-33)46(72)59-30-44(69)62-38(52(78)79)21-13-23-58-53(55)56/h29,31,33-35,37-43H,2-28,30,54H2,1H3,(H,57,60)(H,59,72)(H,61,68)(H,62,69)(H,63,76)(H,64,74)(H,65,75)(H,66,77)(H,67,73)(H,70,71)(H,78,79)(H4,55,56,58)/t37-,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
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| 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
Citation and Details
|
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor (C5aR)
(Homo sapiens (Human)) | BDBM50008235
(2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...)Show SMILES CSCC[C@@H](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](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/C42H71N15O13S/c1-22(2)16-29(35(63)49-20-33(60)52-28(41(69)70)9-7-14-48-42(45)46)56-37(65)26(10-11-32(44)59)54-38(66)27(12-15-71-4)55-40(68)31(18-34(61)62)57-36(64)25(8-5-6-13-43)53-39(67)30(51-23(3)58)17-24-19-47-21-50-24/h19,21-22,25-31H,5-18,20,43H2,1-4H3,(H2,44,59)(H,47,50)(H,49,63)(H,51,58)(H,52,60)(H,53,67)(H,54,66)(H,55,68)(H,56,65)(H,57,64)(H,61,62)(H,69,70)(H4,45,46,48)/t25-,26-,27+,28-,29-,30-,31-/m0/s1 | PDB
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| 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
Citation and Details
|
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor (C5aR)
(Homo sapiens (Human)) | BDBM50008234
(2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...)Show SMILES CCCCC(NC(=O)C(CCCC)NC(=O)C(CCCC)NC(=O)C(CC(O)=O)NC(=O)C(CCCCN)NC(=O)C(Cc1cnc[nH]1)NC(C)=O)C(=O)NCC(=O)NC(CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C44H76N14O12/c1-5-8-14-28(37(63)50-24-35(60)53-32(43(69)70)18-13-20-49-44(46)47)54-38(64)29(15-9-6-2)55-39(65)30(16-10-7-3)56-42(68)34(22-36(61)62)58-40(66)31(17-11-12-19-45)57-41(67)33(52-26(4)59)21-27-23-48-25-51-27/h23,25,28-34H,5-22,24,45H2,1-4H3,(H,48,51)(H,50,63)(H,52,59)(H,53,60)(H,54,64)(H,55,65)(H,56,68)(H,57,67)(H,58,66)(H,61,62)(H,69,70)(H4,46,47,49) | PDB
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| 2.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
Citation and Details
|
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor (C5aR)
(Homo sapiens (Human)) | BDBM50008229
(2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@H](CC(O)=O)NC(=O)C(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/C51H86N14O12/c1-29(2)22-37(45(71)58-30(3)43(69)61-36(50(76)77)19-13-21-56-51(53)54)62-46(72)38(23-32-14-7-5-8-15-32)63-47(73)39(24-33-16-9-6-10-17-33)64-49(75)41(26-42(67)68)65-44(70)35(18-11-12-20-52)60-48(74)40(59-31(4)66)25-34-27-55-28-57-34/h27-30,32-33,35-41H,5-26,52H2,1-4H3,(H,55,57)(H,58,71)(H,59,66)(H,60,74)(H,61,69)(H,62,72)(H,63,73)(H,64,75)(H,65,70)(H,67,68)(H,76,77)(H4,53,54,56)/t30-,35?,36-,37-,38+,39+,40-,41-/m0/s1 | PDB
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| 6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
Citation and Details
|
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor (C5aR)
(Homo sapiens (Human)) | BDBM50008227
(2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)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](CCCN=C(N)N)C(O)=O Show InChI InChI=1S/C54H72N14O12/c1-32(46(72)64-39(53(79)80)22-14-24-59-54(56)57)61-48(74)40(25-34-15-6-3-7-16-34)65-49(75)41(26-35-17-8-4-9-18-35)66-50(76)42(27-36-19-10-5-11-20-36)67-52(78)44(29-45(70)71)68-47(73)38(21-12-13-23-55)63-51(77)43(62-33(2)69)28-37-30-58-31-60-37/h3-11,15-20,30-32,38-44H,12-14,21-29,55H2,1-2H3,(H,58,60)(H,61,74)(H,62,69)(H,63,77)(H,64,72)(H,65,75)(H,66,76)(H,67,78)(H,68,73)(H,70,71)(H,79,80)(H4,56,57,59)/t32-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
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| 7.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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