Found 60 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 1
(Homo sapiens (Human)) | BDBM50077479
((S)-2-Amino-N-[(5S,11S,14S,17R,19aS)-17-cyclohexyl...)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C44H61N11O6/c45-31(23-27-11-3-1-4-12-27)38(56)52-34-17-9-20-48-39(57)33(19-21-49-44(46)47)51-41(59)36(25-29-26-50-32-16-8-7-15-30(29)32)53-40(58)35(24-28-13-5-2-6-14-28)54-42(60)37-18-10-22-55(37)43(34)61/h1,3-4,7-8,11-12,15-16,26,28,31,33-37,50H,2,5-6,9-10,13-14,17-25,45H2,(H,48,57)(H,51,59)(H,52,56)(H,53,58)(H,54,60)(H4,46,47,49)/t31-,33-,34-,35+,36-,37-/m0/s1 | PDB
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PubMed
| n/a | n/a | >56.2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077479
((S)-2-Amino-N-[(5S,11S,14S,17R,19aS)-17-cyclohexyl...)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C44H61N11O6/c45-31(23-27-11-3-1-4-12-27)38(56)52-34-17-9-20-48-39(57)33(19-21-49-44(46)47)51-41(59)36(25-29-26-50-32-16-8-7-15-30(29)32)53-40(58)35(24-28-13-5-2-6-14-28)54-42(60)37-18-10-22-55(37)43(34)61/h1,3-4,7-8,11-12,15-16,26,28,31,33-37,50H,2,5-6,9-10,13-14,17-25,45H2,(H,48,57)(H,51,59)(H,52,56)(H,53,58)(H,54,60)(H4,46,47,49)/t31-,33-,34-,35+,36-,37-/m0/s1 | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]-C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077493
(CHEMBL2373542 | H-Lys-Tyr-Lys-His-Ser-Val-Val-Lys-...)Show SMILES CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C111H175N31O23/c1-66(2)94(141-108(162)95(67(3)4)140-105(159)87(64-143)139-104(158)86(57-72-59-120-65-128-72)137-99(153)78(35-15-21-47-114)131-101(155)83(55-70-41-43-73(144)44-42-70)135-96(150)75(117)32-13-19-45-112)107(161)132-79(36-16-22-48-115)98(152)130-77(34-14-20-46-113)97(151)121-50-24-18-40-89(145)124-60-90(146)125-61-91(147)126-62-92(148)127-63-93(149)129-82(53-68-27-7-5-8-28-68)100(154)133-80(37-17-23-49-116)109(163)142-52-26-39-88(142)106(160)138-84(54-69-29-9-6-10-30-69)102(156)136-85(56-71-58-123-76-33-12-11-31-74(71)76)103(157)134-81(110(164)165)38-25-51-122-111(118)119/h5,7-8,11-12,27-28,31,33,41-44,58-59,65-67,69,75,77-88,94-95,123,143-144H,6,9-10,13-26,29-30,32,34-40,45-57,60-64,112-117H2,1-4H3,(H,120,128)(H,121,151)(H,124,145)(H,125,146)(H,126,147)(H,127,148)(H,129,149)(H,130,152)(H,131,155)(H,132,161)(H,133,154)(H,134,157)(H,135,150)(H,136,156)(H,137,153)(H,138,160)(H,139,158)(H,140,159)(H,141,162)(H,164,165)(H4,118,119,122)/t75-,77-,78-,79-,80-,81+,82-,83-,84+,85-,86-,87-,88+,94-,95-/m0/s1 | PDB
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PubMed
| n/a | n/a | >174 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077493
(CHEMBL2373542 | H-Lys-Tyr-Lys-His-Ser-Val-Val-Lys-...)Show SMILES CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C111H175N31O23/c1-66(2)94(141-108(162)95(67(3)4)140-105(159)87(64-143)139-104(158)86(57-72-59-120-65-128-72)137-99(153)78(35-15-21-47-114)131-101(155)83(55-70-41-43-73(144)44-42-70)135-96(150)75(117)32-13-19-45-112)107(161)132-79(36-16-22-48-115)98(152)130-77(34-14-20-46-113)97(151)121-50-24-18-40-89(145)124-60-90(146)125-61-91(147)126-62-92(148)127-63-93(149)129-82(53-68-27-7-5-8-28-68)100(154)133-80(37-17-23-49-116)109(163)142-52-26-39-88(142)106(160)138-84(54-69-29-9-6-10-30-69)102(156)136-85(56-71-58-123-76-33-12-11-31-74(71)76)103(157)134-81(110(164)165)38-25-51-122-111(118)119/h5,7-8,11-12,27-28,31,33,41-44,58-59,65-67,69,75,77-88,94-95,123,143-144H,6,9-10,13-26,29-30,32,34-40,45-57,60-64,112-117H2,1-4H3,(H,120,128)(H,121,151)(H,124,145)(H,125,146)(H,126,147)(H,127,148)(H,129,149)(H,130,152)(H,131,155)(H,132,161)(H,133,154)(H,134,157)(H,135,150)(H,136,156)(H,137,153)(H,138,160)(H,139,158)(H,140,159)(H,141,162)(H,164,165)(H4,118,119,122)/t75-,77-,78-,79-,80-,81+,82-,83-,84+,85-,86-,87-,88+,94-,95-/m0/s1 | PDB
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| n/a | n/a | >174 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077485
((S)-2-Acetylamino-N-[(5S,11S,14S,17R,19aS)-17-cycl...)Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C46H63N11O7/c1-28(58)52-36(24-29-12-4-2-5-13-29)41(60)54-35-18-10-21-49-40(59)34(20-22-50-46(47)48)53-43(62)38(26-31-27-51-33-17-9-8-16-32(31)33)55-42(61)37(25-30-14-6-3-7-15-30)56-44(63)39-19-11-23-57(39)45(35)64/h2,4-5,8-9,12-13,16-17,27,30,34-39,51H,3,6-7,10-11,14-15,18-26H2,1H3,(H,49,59)(H,52,58)(H,53,62)(H,54,60)(H,55,61)(H,56,63)(H4,47,48,50)/t34-,35-,36-,37+,38-,39-/m0/s1 | PDB
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| n/a | n/a | >269 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077485
((S)-2-Acetylamino-N-[(5S,11S,14S,17R,19aS)-17-cycl...)Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C46H63N11O7/c1-28(58)52-36(24-29-12-4-2-5-13-29)41(60)54-35-18-10-21-49-40(59)34(20-22-50-46(47)48)53-43(62)38(26-31-27-51-33-17-9-8-16-32(31)33)55-42(61)37(25-30-14-6-3-7-15-30)56-44(63)39-19-11-23-57(39)45(35)64/h2,4-5,8-9,12-13,16-17,27,30,34-39,51H,3,6-7,10-11,14-15,18-26H2,1H3,(H,49,59)(H,52,58)(H,53,62)(H,54,60)(H,55,61)(H,56,63)(H4,47,48,50)/t34-,35-,36-,37+,38-,39-/m0/s1 | PDB
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| n/a | n/a | >269 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077499
((S)-2-Amino-N-[(5S,12S,15S,18R,20aS)-18-cyclohexyl...)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)[C@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C45H63N11O6/c46-32(24-28-12-3-1-4-13-28)39(57)53-35-18-9-10-21-49-40(58)34(20-22-50-45(47)48)52-42(60)37(26-30-27-51-33-17-8-7-16-31(30)33)54-41(59)36(25-29-14-5-2-6-15-29)55-43(61)38-19-11-23-56(38)44(35)62/h1,3-4,7-8,12-13,16-17,27,29,32,34-38,51H,2,5-6,9-11,14-15,18-26,46H2,(H,49,58)(H,52,60)(H,53,57)(H,54,59)(H,55,61)(H4,47,48,50)/t32-,34-,35-,36+,37-,38-/m0/s1 | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]-C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077487
((S)-2-Amino-N-[(5S,10S,13S,16R,18aS)-16-cyclohexyl...)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCNC(=O)[C@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C43H59N11O6/c44-30(22-26-10-3-1-4-11-26)37(55)51-33-18-19-47-38(56)32(17-20-48-43(45)46)50-40(58)35(24-28-25-49-31-15-8-7-14-29(28)31)52-39(57)34(23-27-12-5-2-6-13-27)53-41(59)36-16-9-21-54(36)42(33)60/h1,3-4,7-8,10-11,14-15,25,27,30,32-36,49H,2,5-6,9,12-13,16-24,44H2,(H,47,56)(H,50,58)(H,51,55)(H,52,57)(H,53,59)(H4,45,46,48)/t30-,32-,33-,34+,35-,36-/m0/s1 | PDB
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| n/a | n/a | >309 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077487
((S)-2-Amino-N-[(5S,10S,13S,16R,18aS)-16-cyclohexyl...)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCNC(=O)[C@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C43H59N11O6/c44-30(22-26-10-3-1-4-11-26)37(55)51-33-18-19-47-38(56)32(17-20-48-43(45)46)50-40(58)35(24-28-25-49-31-15-8-7-14-29(28)31)52-39(57)34(23-27-12-5-2-6-13-27)53-41(59)36-16-9-21-54(36)42(33)60/h1,3-4,7-8,10-11,14-15,25,27,30,32-36,49H,2,5-6,9,12-13,16-24,44H2,(H,47,56)(H,50,58)(H,51,55)(H,52,57)(H,53,59)(H4,45,46,48)/t30-,32-,33-,34+,35-,36-/m0/s1 | PDB
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| n/a | n/a | >309 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077499
((S)-2-Amino-N-[(5S,12S,15S,18R,20aS)-18-cyclohexyl...)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)[C@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C45H63N11O6/c46-32(24-28-12-3-1-4-13-28)39(57)53-35-18-9-10-21-49-40(58)34(20-22-50-45(47)48)52-42(60)37(26-30-27-51-33-17-8-7-16-31(30)33)54-41(59)36(25-29-14-5-2-6-15-29)55-43(61)38-19-11-23-56(38)44(35)62/h1,3-4,7-8,12-13,16-17,27,29,32,34-38,51H,2,5-6,9-11,14-15,18-26,46H2,(H,49,58)(H,52,60)(H,53,57)(H,54,59)(H,55,61)(H4,47,48,50)/t32-,34-,35-,36+,37-,38-/m0/s1 | PDB
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| n/a | n/a | >331 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077504
((R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-2-((S)-2-Acetylam...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:4.4,41.43,wD:26.28,30.31,8.16,55.59,(11.3,-1.69,;9.87,-2.24,;9.64,-3.76,;8.19,-4.31,;7.97,-5.82,;6.54,-6.38,;5.34,-5.42,;5.49,-3.49,;3.59,-6.24,;3.44,-8.17,;5.02,-9.27,;4.86,-11.2,;6.46,-12.3,;8.19,-11.47,;8.36,-9.55,;6.77,-8.44,;2,-5.14,;.26,-5.97,;-1.33,-4.86,;.1,-7.89,;9.16,-6.79,;8.92,-8.29,;10.59,-6.23,;10.97,-4.76,;12.52,-4.66,;13.07,-6.09,;11.87,-7.07,;13.19,-7.82,;14.52,-7.07,;13.19,-9.35,;14.52,-10.12,;15.8,-9.27,;17.16,-9.97,;17.52,-11.47,;18.1,-10.36,;19.75,-9.65,;19.38,-8.14,;18.76,-9.32,;15.27,-11.42,;16.8,-11.42,;14.49,-12.75,;15.58,-13.83,;17.06,-13.44,;18.15,-14.53,;17.73,-16,;19.28,-16.75,;20.36,-15.65,;21.89,-15.75,;22.74,-14.47,;22.04,-13.09,;20.5,-13,;19.66,-14.3,;15.18,-15.32,;13.98,-15.63,;16.25,-16.41,;15.85,-17.88,;17.37,-18.03,;18,-19.43,;19.53,-19.6,;20.13,-21,;21.66,-21.16,;22.55,-19.93,;22.28,-22.56,;14.95,-19.11,;15.58,-20.51,;13.44,-18.96,)| Show InChI InChI=1S/C48H68N10O8/c1-3-4-20-36(54-42(60)38(53-30(2)59)26-31-15-7-5-8-16-31)46(64)58-25-14-23-41(58)45(63)57-39(27-32-17-9-6-10-18-32)43(61)56-40(28-33-29-52-35-21-12-11-19-34(33)35)44(62)55-37(47(65)66)22-13-24-51-48(49)50/h5,7-8,11-12,15-16,19,21,29,32,36-41,52H,3-4,6,9-10,13-14,17-18,20,22-28H2,1-2H3,(H,53,59)(H,54,60)(H,55,62)(H,56,61)(H,57,63)(H,65,66)(H4,49,50,51)/t36-,37+,38-,39+,40-,41+/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077497
((R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-2-((S)-2-Acetylam...)Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:15.15,41.43,4.3,wD:26.28,30.31,55.59,(2.04,-11.41,;1.75,-9.5,;-.02,-8.8,;3.26,-8.31,;2.97,-6.41,;1.18,-5.71,;.91,-3.8,;2.4,-2.62,;2.12,-.71,;.31,,;-1.17,-1.2,;-.9,-3.09,;4.47,-5.22,;6.26,-5.9,;4.64,-3.3,;6.4,-2.47,;6.56,-.56,;8.32,.27,;8.48,2.18,;10.24,3.01,;7.98,-3.59,;7.78,-5.22,;9.4,-3.04,;9.78,-1.57,;11.32,-1.48,;11.87,-2.9,;10.67,-3.87,;11.99,-4.62,;13.29,-3.87,;11.99,-6.14,;13.29,-6.91,;14.58,-6.06,;15.93,-6.76,;17.52,-6.11,;18.15,-4.94,;18.52,-6.44,;16.88,-7.15,;16.3,-8.23,;14.04,-8.21,;15.58,-8.21,;13.29,-9.53,;14.36,-10.6,;15.83,-10.22,;16.93,-11.3,;16.5,-12.77,;18.05,-13.5,;19.12,-12.42,;20.64,-12.52,;21.49,-11.24,;20.79,-9.85,;19.27,-9.78,;18.42,-11.07,;13.96,-12.08,;12.77,-12.39,;15.03,-13.16,;14.63,-14.63,;16.15,-14.78,;16.78,-16.18,;18.3,-16.34,;18.89,-17.74,;20.41,-17.9,;21.31,-16.67,;21.04,-19.29,;13.74,-15.85,;14.36,-17.25,;12.24,-15.71,)| Show InChI InChI=1S/C47H67N11O8/c1-29(59)53-37(25-30-13-4-2-5-14-30)41(60)54-35(19-10-22-48)45(64)58-24-12-21-40(58)44(63)57-38(26-31-15-6-3-7-16-31)42(61)56-39(27-32-28-52-34-18-9-8-17-33(32)34)43(62)55-36(46(65)66)20-11-23-51-47(49)50/h2,4-5,8-9,13-14,17-18,28,31,35-40,52H,3,6-7,10-12,15-16,19-27,48H2,1H3,(H,53,59)(H,54,60)(H,55,62)(H,56,61)(H,57,63)(H,65,66)(H4,49,50,51)/t35-,36+,37-,38+,39-,40+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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PC cid
PC sid
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PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]-C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077502
(CHEMBL2373550 | H-Lys-Tyr-Lys-His-Ser-Val-Val-Lys-...)Show SMILES CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:54.55,7.9,23.29,70.71,124.128,86.87,44.46,wD:109.113,3.3,13.20,97.99,61.62,32.42,113.116,138.144,(7.23,-10.13,;8.57,-9.34,;9.92,-10.13,;8.57,-7.78,;7.34,-6.88,;6.23,-6.88,;6.25,-8.45,;4.95,-6.01,;4.95,-4.44,;6.29,-3.67,;3.72,-6.9,;2.6,-6.92,;2.62,-5.35,;1.33,-7.78,;1.33,-9.34,;2.67,-10.13,;4.15,-9.63,;5.07,-10.88,;4.17,-12.14,;2.69,-11.67,;.1,-6.88,;-1.01,-6.88,;-1,-8.45,;-2.31,-6.01,;-2.3,-4.44,;-.96,-3.67,;-.96,-2.11,;.39,-1.34,;.39,.22,;-3.53,-6.9,;-4.65,-6.92,;-4.63,-5.35,;-5.92,-7.78,;-5.92,-9.34,;-4.58,-10.13,;-3.24,-9.34,;-1.9,-10.13,;-1.9,-11.67,;-.55,-12.45,;-3.24,-12.45,;-4.58,-11.67,;-7.16,-6.88,;-8.26,-6.88,;-8.25,-8.45,;-9.55,-6.01,;-10.78,-6.9,;-9.55,-4.44,;-8.21,-3.67,;-8.21,-2.11,;-6.87,-1.34,;-6.87,.22,;9.86,-6.92,;9.87,-5.35,;10.98,-6.9,;12.2,-6.01,;12.2,-4.44,;13.55,-3.67,;10.86,-3.66,;13.48,-6.88,;13.48,-8.45,;14.6,-6.88,;15.81,-7.78,;15.81,-9.34,;17.17,-10.13,;17.17,-11.67,;18.5,-12.45,;18.5,-14,;17.11,-6.92,;17.11,-5.35,;18.22,-6.9,;19.44,-6.01,;19.44,-4.44,;20.8,-3.67,;20.8,-2.11,;22.14,-1.34,;22.14,.22,;20.74,-6.88,;20.74,-8.45,;22.1,-6.14,;23.69,-5.24,;25.28,-6.14,;26.87,-5.22,;28.46,-6.14,;30.05,-5.22,;30.05,-3.38,;31.32,-5.95,;32.58,-5.22,;32.58,-3.77,;33.83,-3.04,;35.1,-3.77,;36.36,-3.04,;36.36,-1.57,;35.1,-.86,;33.83,-1.57,;33.83,-5.95,;33.83,-7.4,;35.1,-5.22,;35.82,-6.48,;35.09,-7.73,;35.82,-9,;35.09,-10.26,;35.8,-11.51,;35.08,-12.77,;37.08,-7.21,;37.07,-8.66,;38.33,-6.48,;38.69,-5.07,;40.16,-5,;40.68,-6.36,;39.56,-7.28,;40.81,-8,;42.07,-7.28,;40.81,-9.45,;42.07,-10.19,;43.28,-9.39,;44.58,-10.04,;46.1,-9.42,;46.71,-8.31,;47.06,-9.72,;45.47,-10.42,;44.93,-11.46,;42.78,-11.42,;44.24,-11.42,;42.05,-12.69,;43.08,-13.72,;44.49,-13.35,;45.52,-14.38,;45.13,-15.79,;46.59,-16.48,;47.62,-15.45,;49.08,-15.54,;49.89,-14.33,;49.21,-13.01,;47.76,-12.92,;46.97,-14.16,;42.7,-15.13,;41.56,-15.43,;43.72,-16.17,;43.35,-17.57,;44.78,-17.73,;45.39,-19.06,;46.83,-19.22,;47.42,-20.54,;48.87,-20.69,;49.72,-19.52,;49.46,-22.03,;42.49,-18.75,;43.08,-20.08,;41.04,-18.59,)| Show InChI InChI=1S/C103H163N27O19/c1-62(2)86(129-100(146)87(63(3)4)128-97(143)83(60-131)127-96(142)82(57-68-59-112-61-116-68)125-91(137)74(35-15-21-47-106)119-93(139)79(55-66-41-43-69(132)44-42-66)123-88(134)71(109)32-13-19-45-104)99(145)120-75(36-16-22-48-107)90(136)118-73(34-14-20-46-105)89(135)113-50-24-18-40-85(133)117-78(53-64-27-7-5-8-28-64)92(138)121-76(37-17-23-49-108)101(147)130-52-26-39-84(130)98(144)126-80(54-65-29-9-6-10-30-65)94(140)124-81(56-67-58-115-72-33-12-11-31-70(67)72)95(141)122-77(102(148)149)38-25-51-114-103(110)111/h5,7-8,11-12,27-28,31,33,41-44,58-59,61-63,65,71,73-84,86-87,115,131-132H,6,9-10,13-26,29-30,32,34-40,45-57,60,104-109H2,1-4H3,(H,112,116)(H,113,135)(H,117,133)(H,118,136)(H,119,139)(H,120,145)(H,121,138)(H,122,141)(H,123,134)(H,124,140)(H,125,137)(H,126,144)(H,127,142)(H,128,143)(H,129,146)(H,148,149)(H4,110,111,114)/t71-,73-,74-,75-,76-,77+,78-,79-,80+,81-,82-,83-,84+,86-,87-/m0/s1 | PDB
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UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]-C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077502
(CHEMBL2373550 | H-Lys-Tyr-Lys-His-Ser-Val-Val-Lys-...)Show SMILES CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:54.55,7.9,23.29,70.71,124.128,86.87,44.46,wD:109.113,3.3,13.20,97.99,61.62,32.42,113.116,138.144,(7.23,-10.13,;8.57,-9.34,;9.92,-10.13,;8.57,-7.78,;7.34,-6.88,;6.23,-6.88,;6.25,-8.45,;4.95,-6.01,;4.95,-4.44,;6.29,-3.67,;3.72,-6.9,;2.6,-6.92,;2.62,-5.35,;1.33,-7.78,;1.33,-9.34,;2.67,-10.13,;4.15,-9.63,;5.07,-10.88,;4.17,-12.14,;2.69,-11.67,;.1,-6.88,;-1.01,-6.88,;-1,-8.45,;-2.31,-6.01,;-2.3,-4.44,;-.96,-3.67,;-.96,-2.11,;.39,-1.34,;.39,.22,;-3.53,-6.9,;-4.65,-6.92,;-4.63,-5.35,;-5.92,-7.78,;-5.92,-9.34,;-4.58,-10.13,;-3.24,-9.34,;-1.9,-10.13,;-1.9,-11.67,;-.55,-12.45,;-3.24,-12.45,;-4.58,-11.67,;-7.16,-6.88,;-8.26,-6.88,;-8.25,-8.45,;-9.55,-6.01,;-10.78,-6.9,;-9.55,-4.44,;-8.21,-3.67,;-8.21,-2.11,;-6.87,-1.34,;-6.87,.22,;9.86,-6.92,;9.87,-5.35,;10.98,-6.9,;12.2,-6.01,;12.2,-4.44,;13.55,-3.67,;10.86,-3.66,;13.48,-6.88,;13.48,-8.45,;14.6,-6.88,;15.81,-7.78,;15.81,-9.34,;17.17,-10.13,;17.17,-11.67,;18.5,-12.45,;18.5,-14,;17.11,-6.92,;17.11,-5.35,;18.22,-6.9,;19.44,-6.01,;19.44,-4.44,;20.8,-3.67,;20.8,-2.11,;22.14,-1.34,;22.14,.22,;20.74,-6.88,;20.74,-8.45,;22.1,-6.14,;23.69,-5.24,;25.28,-6.14,;26.87,-5.22,;28.46,-6.14,;30.05,-5.22,;30.05,-3.38,;31.32,-5.95,;32.58,-5.22,;32.58,-3.77,;33.83,-3.04,;35.1,-3.77,;36.36,-3.04,;36.36,-1.57,;35.1,-.86,;33.83,-1.57,;33.83,-5.95,;33.83,-7.4,;35.1,-5.22,;35.82,-6.48,;35.09,-7.73,;35.82,-9,;35.09,-10.26,;35.8,-11.51,;35.08,-12.77,;37.08,-7.21,;37.07,-8.66,;38.33,-6.48,;38.69,-5.07,;40.16,-5,;40.68,-6.36,;39.56,-7.28,;40.81,-8,;42.07,-7.28,;40.81,-9.45,;42.07,-10.19,;43.28,-9.39,;44.58,-10.04,;46.1,-9.42,;46.71,-8.31,;47.06,-9.72,;45.47,-10.42,;44.93,-11.46,;42.78,-11.42,;44.24,-11.42,;42.05,-12.69,;43.08,-13.72,;44.49,-13.35,;45.52,-14.38,;45.13,-15.79,;46.59,-16.48,;47.62,-15.45,;49.08,-15.54,;49.89,-14.33,;49.21,-13.01,;47.76,-12.92,;46.97,-14.16,;42.7,-15.13,;41.56,-15.43,;43.72,-16.17,;43.35,-17.57,;44.78,-17.73,;45.39,-19.06,;46.83,-19.22,;47.42,-20.54,;48.87,-20.69,;49.72,-19.52,;49.46,-22.03,;42.49,-18.75,;43.08,-20.08,;41.04,-18.59,)| Show InChI InChI=1S/C103H163N27O19/c1-62(2)86(129-100(146)87(63(3)4)128-97(143)83(60-131)127-96(142)82(57-68-59-112-61-116-68)125-91(137)74(35-15-21-47-106)119-93(139)79(55-66-41-43-69(132)44-42-66)123-88(134)71(109)32-13-19-45-104)99(145)120-75(36-16-22-48-107)90(136)118-73(34-14-20-46-105)89(135)113-50-24-18-40-85(133)117-78(53-64-27-7-5-8-28-64)92(138)121-76(37-17-23-49-108)101(147)130-52-26-39-84(130)98(144)126-80(54-65-29-9-6-10-30-65)94(140)124-81(56-67-58-115-72-33-12-11-31-70(67)72)95(141)122-77(102(148)149)38-25-51-114-103(110)111/h5,7-8,11-12,27-28,31,33,41-44,58-59,61-63,65,71,73-84,86-87,115,131-132H,6,9-10,13-26,29-30,32,34-40,45-57,60,104-109H2,1-4H3,(H,112,116)(H,113,135)(H,117,133)(H,118,136)(H,119,139)(H,120,145)(H,121,138)(H,122,141)(H,123,134)(H,124,140)(H,125,137)(H,126,144)(H,127,142)(H,128,143)(H,129,146)(H,148,149)(H4,110,111,114)/t71-,73-,74-,75-,76-,77+,78-,79-,80+,81-,82-,83-,84+,86-,87-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077482
((R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-6-Amino-2-((S)-2-...)Show SMILES CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:40.42,2.2,wD:25.27,13.13,29.30,54.58,(.4,-4.76,;1.74,-5.54,;3.07,-4.77,;3.07,-3.23,;4.4,-2.46,;5.73,-3.23,;7.06,-2.46,;7.06,-.92,;5.73,-.15,;4.4,-.92,;4.4,-5.54,;4.4,-7.08,;5.73,-4.77,;6.5,-6.1,;5.73,-7.43,;6.5,-8.76,;5.73,-10.1,;6.5,-11.44,;5.73,-12.77,;7.83,-6.87,;7.82,-8.41,;9.15,-6.1,;9.55,-4.61,;11.09,-4.53,;11.65,-5.96,;10.45,-6.94,;11.78,-7.71,;13.11,-6.94,;11.78,-9.25,;13.11,-10.03,;14.41,-9.18,;15.77,-9.88,;16.14,-11.38,;16.72,-10.26,;18.38,-9.53,;18.03,-8.04,;17.38,-9.21,;13.87,-11.35,;15.41,-11.35,;13.1,-12.68,;14.18,-13.76,;15.68,-13.36,;16.77,-14.46,;16.35,-15.96,;17.91,-16.7,;18.99,-15.61,;20.55,-15.7,;21.4,-14.41,;20.7,-13.01,;19.15,-12.94,;18.31,-14.23,;13.78,-15.26,;12.57,-15.58,;14.86,-16.35,;14.46,-17.85,;16,-18.01,;16.63,-19.41,;18.15,-19.58,;18.78,-20.99,;20.32,-21.16,;21.21,-19.9,;20.93,-22.56,;13.55,-19.09,;14.18,-20.5,;12.03,-18.92,)| Show InChI InChI=1S/C47H69N11O7/c1-51-37(26-30-14-4-2-5-15-30)41(59)54-35(20-10-11-23-48)45(63)58-25-13-22-40(58)44(62)57-38(27-31-16-6-3-7-17-31)42(60)56-39(28-32-29-53-34-19-9-8-18-33(32)34)43(61)55-36(46(64)65)21-12-24-52-47(49)50/h2,4-5,8-9,14-15,18-19,29,31,35-40,51,53H,3,6-7,10-13,16-17,20-28,48H2,1H3,(H,54,59)(H,55,61)(H,56,60)(H,57,62)(H,64,65)(H4,49,50,52)/t35-,36+,37-,38+,39-,40+/m0/s1 | PDB
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| n/a | n/a | 1.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077486
((R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-6-Amino-2-((S)-2-...)Show SMILES NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:39.41,9.9,wD:24.26,5.5,28.29,53.57,(5.65,-12.11,;6.42,-10.78,;5.65,-9.45,;6.42,-8.12,;5.65,-6.78,;6.42,-5.46,;5.65,-4.13,;4.32,-4.9,;4.32,-6.43,;2.99,-4.13,;1.66,-4.9,;2.99,-2.59,;4.32,-1.82,;4.32,-.28,;5.67,.49,;6.99,-.28,;6.99,-1.82,;5.67,-2.59,;7.75,-6.22,;7.75,-7.76,;9.08,-5.46,;9.47,-3.97,;11.01,-3.88,;11.57,-5.32,;10.37,-6.29,;11.69,-7.06,;13.03,-6.29,;11.69,-8.6,;13.03,-9.37,;14.32,-8.52,;15.69,-9.22,;17.3,-8.56,;17.94,-7.39,;18.3,-8.89,;16.63,-9.61,;16.05,-10.72,;13.79,-10.69,;15.33,-10.69,;13.01,-12.01,;14.11,-13.11,;15.6,-12.71,;16.68,-13.81,;16.27,-15.3,;17.82,-16.04,;18.91,-14.95,;20.45,-15.04,;21.29,-13.74,;20.59,-12.36,;19.06,-12.27,;18.22,-13.58,;13.69,-14.6,;12.5,-14.92,;14.78,-15.7,;14.37,-17.18,;15.91,-17.35,;16.54,-18.75,;18.07,-18.92,;18.68,-20.31,;20.22,-20.48,;21.12,-19.24,;20.84,-21.89,;13.48,-18.43,;14.09,-19.83,;11.94,-18.26,)| Show InChI InChI=1S/C46H67N11O7/c47-22-10-9-19-35(53-40(58)33(48)25-29-13-3-1-4-14-29)44(62)57-24-12-21-39(57)43(61)56-37(26-30-15-5-2-6-16-30)41(59)55-38(27-31-28-52-34-18-8-7-17-32(31)34)42(60)54-36(45(63)64)20-11-23-51-46(49)50/h1,3-4,7-8,13-14,17-18,28,30,33,35-39,52H,2,5-6,9-12,15-16,19-27,47-48H2,(H,53,58)(H,54,60)(H,55,59)(H,56,61)(H,63,64)(H4,49,50,51)/t33-,35-,36+,37+,38-,39+/m0/s1 | PDB
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| n/a | n/a | 1.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077482
((R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-6-Amino-2-((S)-2-...)Show SMILES CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:40.42,2.2,wD:25.27,13.13,29.30,54.58,(.4,-4.76,;1.74,-5.54,;3.07,-4.77,;3.07,-3.23,;4.4,-2.46,;5.73,-3.23,;7.06,-2.46,;7.06,-.92,;5.73,-.15,;4.4,-.92,;4.4,-5.54,;4.4,-7.08,;5.73,-4.77,;6.5,-6.1,;5.73,-7.43,;6.5,-8.76,;5.73,-10.1,;6.5,-11.44,;5.73,-12.77,;7.83,-6.87,;7.82,-8.41,;9.15,-6.1,;9.55,-4.61,;11.09,-4.53,;11.65,-5.96,;10.45,-6.94,;11.78,-7.71,;13.11,-6.94,;11.78,-9.25,;13.11,-10.03,;14.41,-9.18,;15.77,-9.88,;16.14,-11.38,;16.72,-10.26,;18.38,-9.53,;18.03,-8.04,;17.38,-9.21,;13.87,-11.35,;15.41,-11.35,;13.1,-12.68,;14.18,-13.76,;15.68,-13.36,;16.77,-14.46,;16.35,-15.96,;17.91,-16.7,;18.99,-15.61,;20.55,-15.7,;21.4,-14.41,;20.7,-13.01,;19.15,-12.94,;18.31,-14.23,;13.78,-15.26,;12.57,-15.58,;14.86,-16.35,;14.46,-17.85,;16,-18.01,;16.63,-19.41,;18.15,-19.58,;18.78,-20.99,;20.32,-21.16,;21.21,-19.9,;20.93,-22.56,;13.55,-19.09,;14.18,-20.5,;12.03,-18.92,)| Show InChI InChI=1S/C47H69N11O7/c1-51-37(26-30-14-4-2-5-15-30)41(59)54-35(20-10-11-23-48)45(63)58-25-13-22-40(58)44(62)57-38(27-31-16-6-3-7-17-31)42(60)56-39(28-32-29-53-34-19-9-8-18-33(32)34)43(61)55-36(46(64)65)21-12-24-52-47(49)50/h2,4-5,8-9,14-15,18-19,29,31,35-40,51,53H,3,6-7,10-13,16-17,20-28,48H2,1H3,(H,54,59)(H,55,61)(H,56,60)(H,57,62)(H,64,65)(H4,49,50,52)/t35-,36+,37-,38+,39-,40+/m0/s1 | PDB
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| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077486
((R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-6-Amino-2-((S)-2-...)Show SMILES NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:39.41,9.9,wD:24.26,5.5,28.29,53.57,(5.65,-12.11,;6.42,-10.78,;5.65,-9.45,;6.42,-8.12,;5.65,-6.78,;6.42,-5.46,;5.65,-4.13,;4.32,-4.9,;4.32,-6.43,;2.99,-4.13,;1.66,-4.9,;2.99,-2.59,;4.32,-1.82,;4.32,-.28,;5.67,.49,;6.99,-.28,;6.99,-1.82,;5.67,-2.59,;7.75,-6.22,;7.75,-7.76,;9.08,-5.46,;9.47,-3.97,;11.01,-3.88,;11.57,-5.32,;10.37,-6.29,;11.69,-7.06,;13.03,-6.29,;11.69,-8.6,;13.03,-9.37,;14.32,-8.52,;15.69,-9.22,;17.3,-8.56,;17.94,-7.39,;18.3,-8.89,;16.63,-9.61,;16.05,-10.72,;13.79,-10.69,;15.33,-10.69,;13.01,-12.01,;14.11,-13.11,;15.6,-12.71,;16.68,-13.81,;16.27,-15.3,;17.82,-16.04,;18.91,-14.95,;20.45,-15.04,;21.29,-13.74,;20.59,-12.36,;19.06,-12.27,;18.22,-13.58,;13.69,-14.6,;12.5,-14.92,;14.78,-15.7,;14.37,-17.18,;15.91,-17.35,;16.54,-18.75,;18.07,-18.92,;18.68,-20.31,;20.22,-20.48,;21.12,-19.24,;20.84,-21.89,;13.48,-18.43,;14.09,-19.83,;11.94,-18.26,)| Show InChI InChI=1S/C46H67N11O7/c47-22-10-9-19-35(53-40(58)33(48)25-29-13-3-1-4-14-29)44(62)57-24-12-21-39(57)43(61)56-37(26-30-15-5-2-6-16-30)41(59)55-38(27-31-28-52-34-18-8-7-17-32(31)34)42(60)54-36(45(63)64)20-11-23-51-46(49)50/h1,3-4,7-8,13-14,17-18,28,30,33,35-39,52H,2,5-6,9-12,15-16,19-27,47-48H2,(H,53,58)(H,54,60)(H,55,59)(H,56,61)(H,63,64)(H4,49,50,51)/t33-,35-,36+,37+,38-,39+/m0/s1 | PDB
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| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077500
((R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-2-((S)-2-Acetylam...)Show SMILES NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:10.9,48.50,wD:33.35,21.21,37.38,62.66,5.5,(3.72,-11.7,;3.72,-10.16,;2.39,-9.39,;2.39,-7.85,;1.06,-7.07,;1.06,-5.53,;-.27,-4.76,;2.4,-4.76,;2.39,-3.23,;3.74,-5.54,;5.07,-4.77,;5.07,-3.23,;6.4,-2.46,;6.4,-.92,;7.73,-.15,;9.06,-.92,;9.06,-2.46,;7.73,-3.23,;6.4,-5.54,;6.4,-7.08,;7.73,-4.77,;8.5,-6.1,;7.73,-7.43,;8.5,-8.76,;7.73,-10.09,;8.5,-11.43,;7.73,-12.76,;9.83,-6.87,;9.82,-8.41,;11.15,-6.1,;11.55,-4.6,;13.09,-4.53,;13.65,-5.96,;12.44,-6.94,;13.77,-7.71,;15.1,-6.94,;13.77,-9.25,;15.1,-10.02,;16.4,-9.17,;17.76,-9.87,;18.14,-11.37,;18.7,-10.25,;20.38,-9.53,;20.02,-8.03,;19.37,-9.2,;15.87,-11.34,;17.41,-11.34,;15.1,-12.67,;16.18,-13.75,;17.67,-13.35,;18.77,-14.45,;18.35,-15.94,;19.9,-16.69,;20.98,-15.59,;22.54,-15.69,;23.39,-14.4,;22.69,-13,;21.14,-12.93,;20.3,-14.22,;15.78,-15.24,;14.57,-15.57,;16.85,-16.34,;16.46,-17.83,;17.99,-18,;18.62,-19.4,;20.14,-19.56,;20.77,-20.98,;22.31,-21.14,;23.2,-19.89,;22.92,-22.55,;15.55,-19.07,;16.18,-20.49,;14.02,-18.91,)| Show InChI InChI=1S/C52H79N13O8/c53-25-11-9-20-37(55)45(66)62-41(29-33-15-3-1-4-16-33)46(67)60-39(22-10-12-26-54)50(71)65-28-14-24-44(65)49(70)64-42(30-34-17-5-2-6-18-34)47(68)63-43(31-35-32-59-38-21-8-7-19-36(35)38)48(69)61-40(51(72)73)23-13-27-58-52(56)57/h1,3-4,7-8,15-16,19,21,32,34,37,39-44,59H,2,5-6,9-14,17-18,20,22-31,53-55H2,(H,60,67)(H,61,69)(H,62,66)(H,63,68)(H,64,70)(H,72,73)(H4,56,57,58)/t37-,39-,40+,41-,42+,43-,44+/m0/s1 | PDB
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| n/a | n/a | 2.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077483
((R)-2-[(S)-2-{(R)-2-[((R)-1-{(S)-6-Amino-2-[(S)-2-...)Show SMILES CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |wU:40.42,54.58,2.2,wD:25.27,13.13,29.30,(.4,-4.76,;1.74,-5.54,;3.07,-4.77,;3.07,-3.23,;4.4,-2.46,;5.73,-3.23,;7.06,-2.46,;7.06,-.92,;5.73,-.15,;4.4,-.92,;4.4,-5.54,;4.4,-7.08,;5.73,-4.77,;6.5,-6.1,;5.73,-7.43,;6.5,-8.76,;5.73,-10.1,;6.5,-11.44,;5.73,-12.77,;7.83,-6.87,;7.82,-8.41,;9.15,-6.1,;9.55,-4.61,;11.09,-4.53,;11.65,-5.96,;10.45,-6.94,;11.78,-7.71,;13.11,-6.94,;11.78,-9.25,;13.11,-10.03,;14.41,-9.18,;15.77,-9.88,;16.14,-11.38,;16.72,-10.26,;18.38,-9.53,;18.03,-8.04,;17.38,-9.21,;13.87,-11.35,;15.41,-11.35,;13.1,-12.68,;14.18,-13.76,;15.68,-13.36,;16.77,-14.46,;16.35,-15.96,;17.91,-16.7,;18.99,-15.61,;20.55,-15.7,;21.4,-14.41,;20.7,-13.01,;19.15,-12.94,;18.31,-14.23,;13.78,-15.26,;12.57,-15.58,;14.86,-16.35,;14.46,-17.85,;16,-18.01,;16.63,-19.41,;18.15,-19.58,;18.78,-20.99,;20.32,-21.16,;21.21,-19.9,;20.93,-22.56,;13.55,-19.09,;14.18,-20.5,;12.03,-18.92,)| Show InChI InChI=1S/C47H69N11O7/c1-51-37(26-30-14-4-2-5-15-30)41(59)54-35(20-10-11-23-48)45(63)58-25-13-22-40(58)44(62)57-38(27-31-16-6-3-7-17-31)42(60)56-39(28-32-29-53-34-19-9-8-18-33(32)34)43(61)55-36(46(64)65)21-12-24-52-47(49)50/h2,4-5,8-9,14-15,18-19,29,31,35-40,51,53H,3,6-7,10-13,16-17,20-28,48H2,1H3,(H,54,59)(H,55,61)(H,56,60)(H,57,62)(H,64,65)(H4,49,50,52)/t35-,36-,37-,38+,39-,40+/m0/s1 | PDB
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PubMed
| n/a | n/a | 2.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077489
(CHEMBL410692 | N-{3-[(5S,8S,11R,14S,17R,19aS)-8-Be...)Show SMILES CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC2CCCCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCNC(N)=N)C1=O Show InChI InChI=1S/C52H65N11O6/c1-62-45(27-33-16-6-3-7-17-33)49(67)61-43(29-35-31-57-39-21-11-9-19-37(35)39)51(69)63-25-13-23-44(63)48(66)60-41(26-32-14-4-2-5-15-32)46(64)59-42(28-34-30-56-38-20-10-8-18-36(34)38)47(65)58-40(50(62)68)22-12-24-55-52(53)54/h3,6-11,16-21,30-32,40-45,56-57H,2,4-5,12-15,22-29H2,1H3,(H,58,65)(H,59,64)(H,60,66)(H,61,67)(H4,53,54,55)/t40-,41-,42+,43+,44+,45+/m1/s1 | PDB
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| n/a | n/a | 2.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077489
(CHEMBL410692 | N-{3-[(5S,8S,11R,14S,17R,19aS)-8-Be...)Show SMILES CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC2CCCCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCNC(N)=N)C1=O Show InChI InChI=1S/C52H65N11O6/c1-62-45(27-33-16-6-3-7-17-33)49(67)61-43(29-35-31-57-39-21-11-9-19-37(35)39)51(69)63-25-13-23-44(63)48(66)60-41(26-32-14-4-2-5-15-32)46(64)59-42(28-34-30-56-38-20-10-8-18-36(34)38)47(65)58-40(50(62)68)22-12-24-55-52(53)54/h3,6-11,16-21,30-32,40-45,56-57H,2,4-5,12-15,22-29H2,1H3,(H,58,65)(H,59,64)(H,60,66)(H,61,67)(H4,53,54,55)/t40-,41-,42+,43+,44+,45+/m1/s1 | PDB
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| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]-C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077481
((R)-2-[(S)-2-[(R)-2-({(R)-1-[(R)-2-((S)-2-Acetylam...)Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:38.40,4.3,15.16,wD:23.25,27.28,52.56,(.63,-9.3,;-.25,-7.58,;-2.18,-7.5,;.78,-5.98,;-.09,-4.27,;-2.01,-4.17,;-2.89,-2.47,;-1.86,-.85,;-2.73,.86,;-4.66,.96,;-5.69,-.66,;-4.81,-2.37,;.95,-2.65,;2.86,-2.75,;.5,-.78,;2.14,.22,;2.1,2.13,;3.82,-.71,;3.69,-2.35,;5.24,-.16,;5.61,1.31,;7.15,1.39,;7.7,-.02,;6.51,-1,;7.83,-1.74,;9.12,-1,;7.83,-3.26,;9.12,-4.03,;10.42,-3.19,;11.76,-3.88,;13.35,-3.24,;13.98,-2.07,;14.35,-3.56,;12.71,-4.27,;12.13,-5.36,;9.87,-5.33,;11.41,-5.33,;9.12,-6.65,;10.19,-7.72,;11.66,-7.33,;12.76,-8.42,;12.33,-9.89,;13.88,-10.62,;14.95,-9.54,;16.47,-9.64,;17.31,-8.35,;16.62,-6.97,;15.1,-6.9,;14.25,-8.19,;9.79,-9.2,;8.6,-9.51,;10.86,-10.28,;10.47,-11.75,;11.99,-11.9,;12.61,-13.3,;14.13,-13.45,;14.72,-14.85,;16.24,-15.01,;17.14,-13.78,;16.87,-16.41,;9.57,-12.97,;10.19,-14.37,;8.08,-12.82,)| Show InChI InChI=1S/C44H61N11O8/c1-26(56)50-33(22-27-12-4-2-5-13-27)40(59)54-37(45)42(61)55-21-11-19-36(55)41(60)53-34(23-28-14-6-3-7-15-28)38(57)52-35(24-29-25-49-31-17-9-8-16-30(29)31)39(58)51-32(43(62)63)18-10-20-48-44(46)47/h2,4-5,8-9,12-13,16-17,25,28,32-37,49H,3,6-7,10-11,14-15,18-24,45H2,1H3,(H,50,56)(H,51,58)(H,52,57)(H,53,60)(H,54,59)(H,62,63)(H4,46,47,48)/t32-,33+,34-,35+,36-,37-/m1/s1 | PDB
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| n/a | n/a | 3.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077481
((R)-2-[(S)-2-[(R)-2-({(R)-1-[(R)-2-((S)-2-Acetylam...)Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:38.40,4.3,15.16,wD:23.25,27.28,52.56,(.63,-9.3,;-.25,-7.58,;-2.18,-7.5,;.78,-5.98,;-.09,-4.27,;-2.01,-4.17,;-2.89,-2.47,;-1.86,-.85,;-2.73,.86,;-4.66,.96,;-5.69,-.66,;-4.81,-2.37,;.95,-2.65,;2.86,-2.75,;.5,-.78,;2.14,.22,;2.1,2.13,;3.82,-.71,;3.69,-2.35,;5.24,-.16,;5.61,1.31,;7.15,1.39,;7.7,-.02,;6.51,-1,;7.83,-1.74,;9.12,-1,;7.83,-3.26,;9.12,-4.03,;10.42,-3.19,;11.76,-3.88,;13.35,-3.24,;13.98,-2.07,;14.35,-3.56,;12.71,-4.27,;12.13,-5.36,;9.87,-5.33,;11.41,-5.33,;9.12,-6.65,;10.19,-7.72,;11.66,-7.33,;12.76,-8.42,;12.33,-9.89,;13.88,-10.62,;14.95,-9.54,;16.47,-9.64,;17.31,-8.35,;16.62,-6.97,;15.1,-6.9,;14.25,-8.19,;9.79,-9.2,;8.6,-9.51,;10.86,-10.28,;10.47,-11.75,;11.99,-11.9,;12.61,-13.3,;14.13,-13.45,;14.72,-14.85,;16.24,-15.01,;17.14,-13.78,;16.87,-16.41,;9.57,-12.97,;10.19,-14.37,;8.08,-12.82,)| Show InChI InChI=1S/C44H61N11O8/c1-26(56)50-33(22-27-12-4-2-5-13-27)40(59)54-37(45)42(61)55-21-11-19-36(55)41(60)53-34(23-28-14-6-3-7-15-28)38(57)52-35(24-29-25-49-31-17-9-8-16-30(29)31)39(58)51-32(43(62)63)18-10-20-48-44(46)47/h2,4-5,8-9,12-13,16-17,25,28,32-37,49H,3,6-7,10-11,14-15,18-24,45H2,1H3,(H,50,56)(H,51,58)(H,52,57)(H,53,60)(H,54,59)(H,62,63)(H4,46,47,48)/t32-,33+,34-,35+,36-,37-/m1/s1 | PDB
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| n/a | n/a | 3.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077490
((S)-2-Amino-N-[(5S,11R,14S,17R,19aS)-17-cyclohexyl...)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C44H61N11O6/c45-31(23-27-11-3-1-4-12-27)38(56)52-34-17-9-20-48-39(57)33(19-21-49-44(46)47)51-41(59)36(25-29-26-50-32-16-8-7-15-30(29)32)53-40(58)35(24-28-13-5-2-6-14-28)54-42(60)37-18-10-22-55(37)43(34)61/h1,3-4,7-8,11-12,15-16,26,28,31,33-37,50H,2,5-6,9-10,13-14,17-25,45H2,(H,48,57)(H,51,59)(H,52,56)(H,53,58)(H,54,60)(H4,46,47,49)/t31-,33+,34-,35+,36-,37-/m0/s1 | PDB
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| n/a | n/a | 3.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077490
((S)-2-Amino-N-[(5S,11R,14S,17R,19aS)-17-cyclohexyl...)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C44H61N11O6/c45-31(23-27-11-3-1-4-12-27)38(56)52-34-17-9-20-48-39(57)33(19-21-49-44(46)47)51-41(59)36(25-29-26-50-32-16-8-7-15-30(29)32)53-40(58)35(24-28-13-5-2-6-14-28)54-42(60)37-18-10-22-55(37)43(34)61/h1,3-4,7-8,11-12,15-16,26,28,31,33-37,50H,2,5-6,9-10,13-14,17-25,45H2,(H,48,57)(H,51,59)(H,52,56)(H,53,58)(H,54,60)(H4,46,47,49)/t31-,33+,34-,35+,36-,37-/m0/s1 | PDB
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| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]-C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077480
((S)-2-Acetylamino-N-[(5S,12R,15S,18R,20aS)-18-cycl...)Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)[C@@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C47H65N11O7/c1-29(59)53-37(25-30-13-4-2-5-14-30)42(61)55-36-19-10-11-22-50-41(60)35(21-23-51-47(48)49)54-44(63)39(27-32-28-52-34-18-9-8-17-33(32)34)56-43(62)38(26-31-15-6-3-7-16-31)57-45(64)40-20-12-24-58(40)46(36)65/h2,4-5,8-9,13-14,17-18,28,31,35-40,52H,3,6-7,10-12,15-16,19-27H2,1H3,(H,50,60)(H,53,59)(H,54,63)(H,55,61)(H,56,62)(H,57,64)(H4,48,49,51)/t35-,36+,37+,38-,39+,40+/m1/s1 | PDB
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| n/a | n/a | 3.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077480
((S)-2-Acetylamino-N-[(5S,12R,15S,18R,20aS)-18-cycl...)Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)[C@@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C47H65N11O7/c1-29(59)53-37(25-30-13-4-2-5-14-30)42(61)55-36-19-10-11-22-50-41(60)35(21-23-51-47(48)49)54-44(63)39(27-32-28-52-34-18-9-8-17-33(32)34)56-43(62)38(26-31-15-6-3-7-16-31)57-45(64)40-20-12-24-58(40)46(36)65/h2,4-5,8-9,13-14,17-18,28,31,35-40,52H,3,6-7,10-12,15-16,19-27H2,1H3,(H,50,60)(H,53,59)(H,54,63)(H,55,61)(H,56,62)(H,57,64)(H4,48,49,51)/t35-,36+,37+,38-,39+,40+/m1/s1 | PDB
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| n/a | n/a | 3.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077497
((R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-2-((S)-2-Acetylam...)Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:15.15,41.43,4.3,wD:26.28,30.31,55.59,(2.04,-11.41,;1.75,-9.5,;-.02,-8.8,;3.26,-8.31,;2.97,-6.41,;1.18,-5.71,;.91,-3.8,;2.4,-2.62,;2.12,-.71,;.31,,;-1.17,-1.2,;-.9,-3.09,;4.47,-5.22,;6.26,-5.9,;4.64,-3.3,;6.4,-2.47,;6.56,-.56,;8.32,.27,;8.48,2.18,;10.24,3.01,;7.98,-3.59,;7.78,-5.22,;9.4,-3.04,;9.78,-1.57,;11.32,-1.48,;11.87,-2.9,;10.67,-3.87,;11.99,-4.62,;13.29,-3.87,;11.99,-6.14,;13.29,-6.91,;14.58,-6.06,;15.93,-6.76,;17.52,-6.11,;18.15,-4.94,;18.52,-6.44,;16.88,-7.15,;16.3,-8.23,;14.04,-8.21,;15.58,-8.21,;13.29,-9.53,;14.36,-10.6,;15.83,-10.22,;16.93,-11.3,;16.5,-12.77,;18.05,-13.5,;19.12,-12.42,;20.64,-12.52,;21.49,-11.24,;20.79,-9.85,;19.27,-9.78,;18.42,-11.07,;13.96,-12.08,;12.77,-12.39,;15.03,-13.16,;14.63,-14.63,;16.15,-14.78,;16.78,-16.18,;18.3,-16.34,;18.89,-17.74,;20.41,-17.9,;21.31,-16.67,;21.04,-19.29,;13.74,-15.85,;14.36,-17.25,;12.24,-15.71,)| Show InChI InChI=1S/C47H67N11O8/c1-29(59)53-37(25-30-13-4-2-5-14-30)41(60)54-35(19-10-22-48)45(64)58-24-12-21-40(58)44(63)57-38(26-31-15-6-3-7-16-31)42(61)56-39(27-32-28-52-34-18-9-8-17-33(32)34)43(62)55-36(46(65)66)20-11-23-51-47(49)50/h2,4-5,8-9,13-14,17-18,28,31,35-40,52H,3,6-7,10-12,15-16,19-27,48H2,1H3,(H,53,59)(H,54,60)(H,55,62)(H,56,61)(H,57,63)(H,65,66)(H4,49,50,51)/t35-,36+,37-,38+,39-,40+/m0/s1 | PDB
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| n/a | n/a | 3.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077504
((R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-2-((S)-2-Acetylam...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:4.4,41.43,wD:26.28,30.31,8.16,55.59,(11.3,-1.69,;9.87,-2.24,;9.64,-3.76,;8.19,-4.31,;7.97,-5.82,;6.54,-6.38,;5.34,-5.42,;5.49,-3.49,;3.59,-6.24,;3.44,-8.17,;5.02,-9.27,;4.86,-11.2,;6.46,-12.3,;8.19,-11.47,;8.36,-9.55,;6.77,-8.44,;2,-5.14,;.26,-5.97,;-1.33,-4.86,;.1,-7.89,;9.16,-6.79,;8.92,-8.29,;10.59,-6.23,;10.97,-4.76,;12.52,-4.66,;13.07,-6.09,;11.87,-7.07,;13.19,-7.82,;14.52,-7.07,;13.19,-9.35,;14.52,-10.12,;15.8,-9.27,;17.16,-9.97,;17.52,-11.47,;18.1,-10.36,;19.75,-9.65,;19.38,-8.14,;18.76,-9.32,;15.27,-11.42,;16.8,-11.42,;14.49,-12.75,;15.58,-13.83,;17.06,-13.44,;18.15,-14.53,;17.73,-16,;19.28,-16.75,;20.36,-15.65,;21.89,-15.75,;22.74,-14.47,;22.04,-13.09,;20.5,-13,;19.66,-14.3,;15.18,-15.32,;13.98,-15.63,;16.25,-16.41,;15.85,-17.88,;17.37,-18.03,;18,-19.43,;19.53,-19.6,;20.13,-21,;21.66,-21.16,;22.55,-19.93,;22.28,-22.56,;14.95,-19.11,;15.58,-20.51,;13.44,-18.96,)| Show InChI InChI=1S/C48H68N10O8/c1-3-4-20-36(54-42(60)38(53-30(2)59)26-31-15-7-5-8-16-31)46(64)58-25-14-23-41(58)45(63)57-39(27-32-17-9-6-10-18-32)43(61)56-40(28-33-29-52-35-21-12-11-19-34(33)35)44(62)55-37(47(65)66)22-13-24-51-48(49)50/h5,7-8,11-12,15-16,19,21,29,32,36-41,52H,3-4,6,9-10,13-14,17-18,20,22-28H2,1-2H3,(H,53,59)(H,54,60)(H,55,62)(H,56,61)(H,57,63)(H,65,66)(H4,49,50,51)/t36-,37+,38-,39+,40-,41+/m0/s1 | PDB
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| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]-C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077503
((S)-2-Amino-N-[(5S,10R,13S,16R,18aS)-16-cyclohexyl...)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCNC(=O)[C@@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C43H59N11O6/c44-30(22-26-10-3-1-4-11-26)37(55)51-33-18-19-47-38(56)32(17-20-48-43(45)46)50-40(58)35(24-28-25-49-31-15-8-7-14-29(28)31)52-39(57)34(23-27-12-5-2-6-13-27)53-41(59)36-16-9-21-54(36)42(33)60/h1,3-4,7-8,10-11,14-15,25,27,30,32-36,49H,2,5-6,9,12-13,16-24,44H2,(H,47,56)(H,50,58)(H,51,55)(H,52,57)(H,53,59)(H4,45,46,48)/t30-,32+,33-,34+,35-,36-/m0/s1 | PDB
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| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077503
((S)-2-Amino-N-[(5S,10R,13S,16R,18aS)-16-cyclohexyl...)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCNC(=O)[C@@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C43H59N11O6/c44-30(22-26-10-3-1-4-11-26)37(55)51-33-18-19-47-38(56)32(17-20-48-43(45)46)50-40(58)35(24-28-25-49-31-15-8-7-14-29(28)31)52-39(57)34(23-27-12-5-2-6-13-27)53-41(59)36-16-9-21-54(36)42(33)60/h1,3-4,7-8,10-11,14-15,25,27,30,32-36,49H,2,5-6,9,12-13,16-24,44H2,(H,47,56)(H,50,58)(H,51,55)(H,52,57)(H,53,59)(H4,45,46,48)/t30-,32+,33-,34+,35-,36-/m0/s1 | PDB
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| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077496
(2-[2-(2-{[1-(6-Amino-2-{2-[6-amino-2-(2-amino-3-ph...)Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:42.44,4.3,wD:27.29,15.15,31.32,56.60,(-.93,-5.53,;.4,-4.76,;.4,-3.22,;1.73,-5.54,;3.06,-4.77,;3.06,-3.23,;4.39,-2.46,;5.72,-3.23,;7.05,-2.46,;7.05,-.92,;5.72,-.15,;4.39,-.92,;4.39,-5.54,;4.39,-7.08,;5.72,-4.77,;6.49,-6.1,;5.72,-7.43,;6.49,-8.76,;5.72,-10.09,;6.49,-11.43,;5.72,-12.76,;7.82,-6.87,;7.82,-8.41,;9.15,-6.1,;9.54,-4.6,;11.08,-4.53,;11.64,-5.96,;10.44,-6.94,;11.77,-7.71,;13.1,-6.94,;11.77,-9.25,;13.1,-10.02,;14.4,-9.17,;15.76,-9.87,;16.13,-11.37,;16.71,-10.25,;18.37,-9.53,;18.01,-8.03,;17.37,-9.2,;13.86,-11.34,;15.4,-11.34,;13.07,-12.67,;14.17,-13.75,;15.66,-13.35,;16.76,-14.45,;16.34,-15.94,;17.9,-16.69,;18.98,-15.59,;20.53,-15.69,;21.38,-14.4,;20.68,-13,;19.13,-12.93,;18.29,-14.22,;13.77,-15.24,;12.56,-15.57,;14.85,-16.34,;14.45,-17.83,;15.98,-18,;16.61,-19.4,;18.14,-19.56,;18.77,-20.98,;20.3,-21.14,;21.19,-19.89,;20.91,-22.55,;13.54,-19.07,;14.17,-20.49,;12.02,-18.91,)| Show InChI InChI=1S/C48H69N11O8/c1-30(60)54-38(26-31-14-4-2-5-15-31)42(61)55-36(20-10-11-23-49)46(65)59-25-13-22-41(59)45(64)58-39(27-32-16-6-3-7-17-32)43(62)57-40(28-33-29-53-35-19-9-8-18-34(33)35)44(63)56-37(47(66)67)21-12-24-52-48(50)51/h2,4-5,8-9,14-15,18-19,29,32,36-41,53H,3,6-7,10-13,16-17,20-28,49H2,1H3,(H,54,60)(H,55,61)(H,56,63)(H,57,62)(H,58,64)(H,66,67)(H4,50,51,52)/t36-,37+,38-,39+,40-,41+/m0/s1 | PDB
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| n/a | n/a | 4.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077495
((R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-6-Amino-2-((S)-2-...)Show SMILES NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:21.21,59.62,9.9,wD:44.47,32.33,5.5,48.50,73.78,(5.11,-12.05,;5.51,-10.55,;4.42,-9.47,;4.42,-7.93,;3.09,-7.15,;3.09,-5.61,;1.76,-4.84,;.43,-5.61,;.82,-7.09,;-1.07,-5.21,;-2.15,-6.3,;-1.46,-3.72,;-.37,-2.64,;1.12,-3.04,;2.2,-1.94,;1.8,-.47,;.33,-.05,;-.76,-1.15,;4.43,-4.84,;4.42,-3.31,;5.77,-5.62,;7.1,-4.85,;7.1,-3.31,;8.43,-2.54,;8.43,-1,;9.76,-.23,;11.09,-1,;11.09,-2.54,;9.76,-3.31,;8.43,-5.62,;8.43,-7.16,;9.76,-4.85,;10.53,-6.18,;9.76,-7.51,;10.53,-8.85,;9.76,-10.18,;10.52,-11.51,;9.74,-12.84,;11.86,-6.95,;11.85,-8.49,;13.18,-6.18,;13.58,-4.7,;15.12,-4.6,;15.68,-6.05,;14.47,-7.02,;15.8,-7.79,;17.13,-7.02,;15.8,-9.33,;17.13,-10.1,;18.43,-9.25,;19.79,-9.95,;20.17,-11.46,;20.74,-10.34,;22.41,-9.62,;22.05,-8.12,;21.4,-9.29,;17.9,-11.42,;19.44,-11.42,;17.13,-12.75,;18.21,-13.84,;19.7,-13.45,;20.8,-14.54,;20.38,-16.04,;21.93,-16.78,;23.01,-15.69,;24.57,-15.77,;25.42,-14.47,;24.72,-13.1,;23.17,-13,;22.33,-14.31,;17.81,-15.34,;16.6,-15.66,;18.88,-16.43,;18.49,-17.92,;20.02,-18.08,;20.65,-19.49,;22.17,-19.65,;22.8,-21.05,;24.34,-21.22,;25.23,-19.98,;24.95,-22.63,;17.58,-19.16,;18.21,-20.56,;16.05,-19,)| Show InChI InChI=1S/C61H88N14O9/c62-30-14-12-26-46(69-53(76)44(64)34-39-18-4-1-5-19-39)54(77)72-49(35-40-20-6-2-7-21-40)55(78)70-47(27-13-15-31-63)59(82)75-33-17-29-52(75)58(81)74-50(36-41-22-8-3-9-23-41)56(79)73-51(37-42-38-68-45-25-11-10-24-43(42)45)57(80)71-48(60(83)84)28-16-32-67-61(65)66/h1-2,4-7,10-11,18-21,24-25,38,41,44,46-52,68H,3,8-9,12-17,22-23,26-37,62-64H2,(H,69,76)(H,70,78)(H,71,80)(H,72,77)(H,73,79)(H,74,81)(H,83,84)(H4,65,66,67)/t44-,46-,47-,48+,49-,50+,51-,52+/m0/s1 | PDB
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| n/a | n/a | 4.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077495
((R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-6-Amino-2-((S)-2-...)Show SMILES NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:21.21,59.62,9.9,wD:44.47,32.33,5.5,48.50,73.78,(5.11,-12.05,;5.51,-10.55,;4.42,-9.47,;4.42,-7.93,;3.09,-7.15,;3.09,-5.61,;1.76,-4.84,;.43,-5.61,;.82,-7.09,;-1.07,-5.21,;-2.15,-6.3,;-1.46,-3.72,;-.37,-2.64,;1.12,-3.04,;2.2,-1.94,;1.8,-.47,;.33,-.05,;-.76,-1.15,;4.43,-4.84,;4.42,-3.31,;5.77,-5.62,;7.1,-4.85,;7.1,-3.31,;8.43,-2.54,;8.43,-1,;9.76,-.23,;11.09,-1,;11.09,-2.54,;9.76,-3.31,;8.43,-5.62,;8.43,-7.16,;9.76,-4.85,;10.53,-6.18,;9.76,-7.51,;10.53,-8.85,;9.76,-10.18,;10.52,-11.51,;9.74,-12.84,;11.86,-6.95,;11.85,-8.49,;13.18,-6.18,;13.58,-4.7,;15.12,-4.6,;15.68,-6.05,;14.47,-7.02,;15.8,-7.79,;17.13,-7.02,;15.8,-9.33,;17.13,-10.1,;18.43,-9.25,;19.79,-9.95,;20.17,-11.46,;20.74,-10.34,;22.41,-9.62,;22.05,-8.12,;21.4,-9.29,;17.9,-11.42,;19.44,-11.42,;17.13,-12.75,;18.21,-13.84,;19.7,-13.45,;20.8,-14.54,;20.38,-16.04,;21.93,-16.78,;23.01,-15.69,;24.57,-15.77,;25.42,-14.47,;24.72,-13.1,;23.17,-13,;22.33,-14.31,;17.81,-15.34,;16.6,-15.66,;18.88,-16.43,;18.49,-17.92,;20.02,-18.08,;20.65,-19.49,;22.17,-19.65,;22.8,-21.05,;24.34,-21.22,;25.23,-19.98,;24.95,-22.63,;17.58,-19.16,;18.21,-20.56,;16.05,-19,)| Show InChI InChI=1S/C61H88N14O9/c62-30-14-12-26-46(69-53(76)44(64)34-39-18-4-1-5-19-39)54(77)72-49(35-40-20-6-2-7-21-40)55(78)70-47(27-13-15-31-63)59(82)75-33-17-29-52(75)58(81)74-50(36-41-22-8-3-9-23-41)56(79)73-51(37-42-38-68-45-25-11-10-24-43(42)45)57(80)71-48(60(83)84)28-16-32-67-61(65)66/h1-2,4-7,10-11,18-21,24-25,38,41,44,46-52,68H,3,8-9,12-17,22-23,26-37,62-64H2,(H,69,76)(H,70,78)(H,71,80)(H,72,77)(H,73,79)(H,74,81)(H,83,84)(H4,65,66,67)/t44-,46-,47-,48+,49-,50+,51-,52+/m0/s1 | PDB
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| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]-C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077496
(2-[2-(2-{[1-(6-Amino-2-{2-[6-amino-2-(2-amino-3-ph...)Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:42.44,4.3,wD:27.29,15.15,31.32,56.60,(-.93,-5.53,;.4,-4.76,;.4,-3.22,;1.73,-5.54,;3.06,-4.77,;3.06,-3.23,;4.39,-2.46,;5.72,-3.23,;7.05,-2.46,;7.05,-.92,;5.72,-.15,;4.39,-.92,;4.39,-5.54,;4.39,-7.08,;5.72,-4.77,;6.49,-6.1,;5.72,-7.43,;6.49,-8.76,;5.72,-10.09,;6.49,-11.43,;5.72,-12.76,;7.82,-6.87,;7.82,-8.41,;9.15,-6.1,;9.54,-4.6,;11.08,-4.53,;11.64,-5.96,;10.44,-6.94,;11.77,-7.71,;13.1,-6.94,;11.77,-9.25,;13.1,-10.02,;14.4,-9.17,;15.76,-9.87,;16.13,-11.37,;16.71,-10.25,;18.37,-9.53,;18.01,-8.03,;17.37,-9.2,;13.86,-11.34,;15.4,-11.34,;13.07,-12.67,;14.17,-13.75,;15.66,-13.35,;16.76,-14.45,;16.34,-15.94,;17.9,-16.69,;18.98,-15.59,;20.53,-15.69,;21.38,-14.4,;20.68,-13,;19.13,-12.93,;18.29,-14.22,;13.77,-15.24,;12.56,-15.57,;14.85,-16.34,;14.45,-17.83,;15.98,-18,;16.61,-19.4,;18.14,-19.56,;18.77,-20.98,;20.3,-21.14,;21.19,-19.89,;20.91,-22.55,;13.54,-19.07,;14.17,-20.49,;12.02,-18.91,)| Show InChI InChI=1S/C48H69N11O8/c1-30(60)54-38(26-31-14-4-2-5-15-31)42(61)55-36(20-10-11-23-49)46(65)59-25-13-22-41(59)45(64)58-39(27-32-16-6-3-7-17-32)43(62)57-40(28-33-29-53-35-19-9-8-18-34(33)35)44(63)56-37(47(66)67)21-12-24-52-48(50)51/h2,4-5,8-9,14-15,18-19,29,32,36-41,53H,3,6-7,10-13,16-17,20-28,49H2,1H3,(H,54,60)(H,55,61)(H,56,63)(H,57,62)(H,58,64)(H,66,67)(H4,50,51,52)/t36-,37+,38-,39+,40-,41+/m0/s1 | PDB
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| n/a | n/a | 4.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077500
((R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-2-((S)-2-Acetylam...)Show SMILES NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:10.9,48.50,wD:33.35,21.21,37.38,62.66,5.5,(3.72,-11.7,;3.72,-10.16,;2.39,-9.39,;2.39,-7.85,;1.06,-7.07,;1.06,-5.53,;-.27,-4.76,;2.4,-4.76,;2.39,-3.23,;3.74,-5.54,;5.07,-4.77,;5.07,-3.23,;6.4,-2.46,;6.4,-.92,;7.73,-.15,;9.06,-.92,;9.06,-2.46,;7.73,-3.23,;6.4,-5.54,;6.4,-7.08,;7.73,-4.77,;8.5,-6.1,;7.73,-7.43,;8.5,-8.76,;7.73,-10.09,;8.5,-11.43,;7.73,-12.76,;9.83,-6.87,;9.82,-8.41,;11.15,-6.1,;11.55,-4.6,;13.09,-4.53,;13.65,-5.96,;12.44,-6.94,;13.77,-7.71,;15.1,-6.94,;13.77,-9.25,;15.1,-10.02,;16.4,-9.17,;17.76,-9.87,;18.14,-11.37,;18.7,-10.25,;20.38,-9.53,;20.02,-8.03,;19.37,-9.2,;15.87,-11.34,;17.41,-11.34,;15.1,-12.67,;16.18,-13.75,;17.67,-13.35,;18.77,-14.45,;18.35,-15.94,;19.9,-16.69,;20.98,-15.59,;22.54,-15.69,;23.39,-14.4,;22.69,-13,;21.14,-12.93,;20.3,-14.22,;15.78,-15.24,;14.57,-15.57,;16.85,-16.34,;16.46,-17.83,;17.99,-18,;18.62,-19.4,;20.14,-19.56,;20.77,-20.98,;22.31,-21.14,;23.2,-19.89,;22.92,-22.55,;15.55,-19.07,;16.18,-20.49,;14.02,-18.91,)| Show InChI InChI=1S/C52H79N13O8/c53-25-11-9-20-37(55)45(66)62-41(29-33-15-3-1-4-16-33)46(67)60-39(22-10-12-26-54)50(71)65-28-14-24-44(65)49(70)64-42(30-34-17-5-2-6-18-34)47(68)63-43(31-35-32-59-38-21-8-7-19-36(35)38)48(69)61-40(51(72)73)23-13-27-58-52(56)57/h1,3-4,7-8,15-16,19,21,32,34,37,39-44,59H,2,5-6,9-14,17-18,20,22-31,53-55H2,(H,60,67)(H,61,69)(H,62,66)(H,63,68)(H,64,70)(H,72,73)(H4,56,57,58)/t37-,39-,40+,41-,42+,43-,44+/m0/s1 | PDB
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PubMed
| n/a | n/a | 4.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077491
((R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-2-((S)-2-Amino-3-...)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:12.12,44.48,wD:29.33,33.36,58.64,1.0,(2.47,-7.05,;3.8,-7.85,;3.78,-9.4,;5.11,-10.18,;6.45,-9.42,;7.78,-10.22,;7.76,-11.76,;6.42,-12.52,;5.09,-11.73,;5.14,-7.1,;5.17,-5.54,;6.64,-7.51,;7.73,-6.43,;7.33,-4.94,;8.41,-3.85,;9.94,-4.09,;10.65,-2.73,;9.55,-1.64,;9.64,-.11,;8.36,.73,;6.98,.04,;6.9,-1.49,;8.19,-2.32,;9.21,-6.82,;9.6,-8.3,;10.65,-6.27,;11.03,-4.78,;12.58,-4.69,;13.14,-6.12,;11.94,-7.11,;13.26,-7.86,;14.6,-7.11,;13.26,-9.4,;14.6,-10.18,;15.89,-9.32,;17.25,-10.02,;17.62,-11.53,;18.19,-10.42,;19.86,-9.7,;19.49,-8.19,;18.86,-9.37,;15.35,-11.48,;16.89,-11.48,;14.57,-12.82,;15.66,-13.9,;17.15,-13.51,;18.25,-14.6,;17.83,-16.09,;19.38,-16.84,;20.47,-15.74,;22,-15.84,;22.86,-14.55,;22.15,-13.16,;20.61,-13.07,;19.76,-14.38,;15.26,-15.4,;14.05,-15.71,;16.34,-16.49,;15.94,-17.98,;17.47,-18.13,;18.09,-19.54,;19.63,-19.7,;20.24,-21.11,;21.78,-21.27,;22.67,-20.03,;22.4,-22.68,;15.03,-19.21,;15.66,-20.62,;13.51,-19.06,)| Show InChI InChI=1S/C51H65N11O7/c52-37(25-31-13-3-1-4-14-31)45(63)61-43(28-34-30-57-39-20-10-8-18-36(34)39)49(67)62-24-12-22-44(62)48(66)60-41(26-32-15-5-2-6-16-32)46(64)59-42(27-33-29-56-38-19-9-7-17-35(33)38)47(65)58-40(50(68)69)21-11-23-55-51(53)54/h1,3-4,7-10,13-14,17-20,29-30,32,37,40-44,56-57H,2,5-6,11-12,15-16,21-28,52H2,(H,58,65)(H,59,64)(H,60,66)(H,61,63)(H,68,69)(H4,53,54,55)/t37-,40+,41+,42-,43-,44+/m0/s1 | PDB
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| n/a | n/a | 5.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte(PMN) C5a anaphylatoxin chemotactic receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077491
((R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-2-((S)-2-Amino-3-...)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:12.12,44.48,wD:29.33,33.36,58.64,1.0,(2.47,-7.05,;3.8,-7.85,;3.78,-9.4,;5.11,-10.18,;6.45,-9.42,;7.78,-10.22,;7.76,-11.76,;6.42,-12.52,;5.09,-11.73,;5.14,-7.1,;5.17,-5.54,;6.64,-7.51,;7.73,-6.43,;7.33,-4.94,;8.41,-3.85,;9.94,-4.09,;10.65,-2.73,;9.55,-1.64,;9.64,-.11,;8.36,.73,;6.98,.04,;6.9,-1.49,;8.19,-2.32,;9.21,-6.82,;9.6,-8.3,;10.65,-6.27,;11.03,-4.78,;12.58,-4.69,;13.14,-6.12,;11.94,-7.11,;13.26,-7.86,;14.6,-7.11,;13.26,-9.4,;14.6,-10.18,;15.89,-9.32,;17.25,-10.02,;17.62,-11.53,;18.19,-10.42,;19.86,-9.7,;19.49,-8.19,;18.86,-9.37,;15.35,-11.48,;16.89,-11.48,;14.57,-12.82,;15.66,-13.9,;17.15,-13.51,;18.25,-14.6,;17.83,-16.09,;19.38,-16.84,;20.47,-15.74,;22,-15.84,;22.86,-14.55,;22.15,-13.16,;20.61,-13.07,;19.76,-14.38,;15.26,-15.4,;14.05,-15.71,;16.34,-16.49,;15.94,-17.98,;17.47,-18.13,;18.09,-19.54,;19.63,-19.7,;20.24,-21.11,;21.78,-21.27,;22.67,-20.03,;22.4,-22.68,;15.03,-19.21,;15.66,-20.62,;13.51,-19.06,)| Show InChI InChI=1S/C51H65N11O7/c52-37(25-31-13-3-1-4-14-31)45(63)61-43(28-34-30-57-39-20-10-8-18-36(34)39)49(67)62-24-12-22-44(62)48(66)60-41(26-32-15-5-2-6-16-32)46(64)59-42(27-33-29-56-38-19-9-7-17-35(33)38)47(65)58-40(50(68)69)21-11-23-55-51(53)54/h1,3-4,7-10,13-14,17-20,29-30,32,37,40-44,56-57H,2,5-6,11-12,15-16,21-28,52H2,(H,58,65)(H,59,64)(H,60,66)(H,61,63)(H,68,69)(H4,53,54,55)/t37-,40+,41+,42-,43-,44+/m0/s1 | PDB
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| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]-C5a to human polymorphonuclear leukocyte(PMN) C5a anaphylatoxin chemotactic receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077505
((S)-2-Amino-N-[(5S,12R,15S,18R,20aS)-18-cyclohexyl...)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)[C@@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C45H63N11O6/c46-32(24-28-12-3-1-4-13-28)39(57)53-35-18-9-10-21-49-40(58)34(20-22-50-45(47)48)52-42(60)37(26-30-27-51-33-17-8-7-16-31(30)33)54-41(59)36(25-29-14-5-2-6-15-29)55-43(61)38-19-11-23-56(38)44(35)62/h1,3-4,7-8,12-13,16-17,27,29,32,34-38,51H,2,5-6,9-11,14-15,18-26,46H2,(H,49,58)(H,52,60)(H,53,57)(H,54,59)(H,55,61)(H4,47,48,50)/t32-,34+,35-,36+,37-,38-/m0/s1 | PDB
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| n/a | n/a | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]-C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077505
((S)-2-Amino-N-[(5S,12R,15S,18R,20aS)-18-cyclohexyl...)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)[C@@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C45H63N11O6/c46-32(24-28-12-3-1-4-13-28)39(57)53-35-18-9-10-21-49-40(58)34(20-22-50-45(47)48)52-42(60)37(26-30-27-51-33-17-8-7-16-31(30)33)54-41(59)36(25-29-14-5-2-6-15-29)55-43(61)38-19-11-23-56(38)44(35)62/h1,3-4,7-8,12-13,16-17,27,29,32,34-38,51H,2,5-6,9-11,14-15,18-26,46H2,(H,49,58)(H,52,60)(H,53,57)(H,54,59)(H,55,61)(H4,47,48,50)/t32-,34+,35-,36+,37-,38-/m0/s1 | PDB
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| n/a | n/a | 8.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077498
((R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-2-((S)-2-Amino-3-...)Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:35.37,1.0,wD:20.22,24.25,49.53,5.5,(8.22,-4.33,;7.98,-5.83,;6.55,-6.4,;5.35,-5.43,;5.75,-3.94,;3.87,-5.83,;2.77,-4.74,;3.47,-7.31,;4.57,-8.41,;4.17,-9.9,;5.27,-10.98,;6.76,-10.57,;7.15,-9.08,;6.06,-7.99,;9.19,-6.81,;8.94,-8.32,;10.62,-6.25,;11,-4.77,;12.55,-4.68,;13.1,-6.11,;11.9,-7.09,;13.23,-7.84,;14.56,-7.09,;13.23,-9.37,;14.56,-10.15,;15.84,-9.29,;17.2,-10,;18.81,-9.34,;19.43,-8.16,;19.8,-9.67,;18.14,-10.39,;17.57,-11.49,;15.31,-11.45,;16.84,-11.45,;14.53,-12.78,;15.62,-13.86,;17.1,-13.48,;18.2,-14.56,;17.78,-16.05,;19.32,-16.79,;20.41,-15.69,;21.94,-15.79,;22.8,-14.51,;22.09,-13.13,;20.55,-13.03,;19.71,-14.34,;15.22,-15.36,;14.01,-15.67,;16.3,-16.45,;15.89,-17.93,;17.42,-18.08,;18.04,-19.48,;19.58,-19.65,;20.19,-21.06,;21.72,-21.22,;22.61,-19.98,;22.34,-22.62,;14.99,-19.16,;15.62,-20.56,;13.48,-19.01,)| Show InChI InChI=1S/C43H60N10O7/c1-26(49-37(54)31(44)22-27-12-4-2-5-13-27)41(58)53-21-11-19-36(53)40(57)52-34(23-28-14-6-3-7-15-28)38(55)51-35(24-29-25-48-32-17-9-8-16-30(29)32)39(56)50-33(42(59)60)18-10-20-47-43(45)46/h2,4-5,8-9,12-13,16-17,25-26,28,31,33-36,48H,3,6-7,10-11,14-15,18-24,44H2,1H3,(H,49,54)(H,50,56)(H,51,55)(H,52,57)(H,59,60)(H4,45,46,47)/t26-,31-,33+,34+,35-,36+/m0/s1 | PDB
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| n/a | n/a | 9.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077498
((R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-2-((S)-2-Amino-3-...)Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:35.37,1.0,wD:20.22,24.25,49.53,5.5,(8.22,-4.33,;7.98,-5.83,;6.55,-6.4,;5.35,-5.43,;5.75,-3.94,;3.87,-5.83,;2.77,-4.74,;3.47,-7.31,;4.57,-8.41,;4.17,-9.9,;5.27,-10.98,;6.76,-10.57,;7.15,-9.08,;6.06,-7.99,;9.19,-6.81,;8.94,-8.32,;10.62,-6.25,;11,-4.77,;12.55,-4.68,;13.1,-6.11,;11.9,-7.09,;13.23,-7.84,;14.56,-7.09,;13.23,-9.37,;14.56,-10.15,;15.84,-9.29,;17.2,-10,;18.81,-9.34,;19.43,-8.16,;19.8,-9.67,;18.14,-10.39,;17.57,-11.49,;15.31,-11.45,;16.84,-11.45,;14.53,-12.78,;15.62,-13.86,;17.1,-13.48,;18.2,-14.56,;17.78,-16.05,;19.32,-16.79,;20.41,-15.69,;21.94,-15.79,;22.8,-14.51,;22.09,-13.13,;20.55,-13.03,;19.71,-14.34,;15.22,-15.36,;14.01,-15.67,;16.3,-16.45,;15.89,-17.93,;17.42,-18.08,;18.04,-19.48,;19.58,-19.65,;20.19,-21.06,;21.72,-21.22,;22.61,-19.98,;22.34,-22.62,;14.99,-19.16,;15.62,-20.56,;13.48,-19.01,)| Show InChI InChI=1S/C43H60N10O7/c1-26(49-37(54)31(44)22-27-12-4-2-5-13-27)41(58)53-21-11-19-36(53)40(57)52-34(23-28-14-6-3-7-15-28)38(55)51-35(24-29-25-48-32-17-9-8-16-30(29)32)39(56)50-33(42(59)60)18-10-20-47-43(45)46/h2,4-5,8-9,12-13,16-17,25-26,28,31,33-36,48H,3,6-7,10-11,14-15,18-24,44H2,1H3,(H,49,54)(H,50,56)(H,51,55)(H,52,57)(H,59,60)(H4,45,46,47)/t26-,31-,33+,34+,35-,36+/m0/s1 | PDB
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| n/a | n/a | 9.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077506
((S)-2-Acetylamino-N-[(5S,9R,12S,15R,17aS)-15-cyclo...)Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CNC(=O)[C@@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C44H59N11O7/c1-26(56)50-33(21-27-11-4-2-5-12-27)39(58)54-36-25-49-38(57)32(18-19-47-44(45)46)51-41(60)35(23-29-24-48-31-16-9-8-15-30(29)31)52-40(59)34(22-28-13-6-3-7-14-28)53-42(61)37-17-10-20-55(37)43(36)62/h2,4-5,8-9,11-12,15-16,24,28,32-37,48H,3,6-7,10,13-14,17-23,25H2,1H3,(H,49,57)(H,50,56)(H,51,60)(H,52,59)(H,53,61)(H,54,58)(H4,45,46,47)/t32-,33+,34-,35+,36+,37+/m1/s1 | PDB
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| n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]-C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077506
((S)-2-Acetylamino-N-[(5S,9R,12S,15R,17aS)-15-cyclo...)Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CNC(=O)[C@@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C44H59N11O7/c1-26(56)50-33(21-27-11-4-2-5-12-27)39(58)54-36-25-49-38(57)32(18-19-47-44(45)46)51-41(60)35(23-29-24-48-31-16-9-8-15-30(29)31)52-40(59)34(22-28-13-6-3-7-14-28)53-42(61)37-17-10-20-55(37)43(36)62/h2,4-5,8-9,11-12,15-16,24,28,32-37,48H,3,6-7,10,13-14,17-23,25H2,1H3,(H,49,57)(H,50,56)(H,51,60)(H,52,59)(H,53,61)(H,54,58)(H4,45,46,47)/t32-,33+,34-,35+,36+,37+/m1/s1 | PDB
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| n/a | n/a | 9.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077488
((S)-2-Amino-N-[(5S,9S,12S,15R,17aS)-15-cyclohexylm...)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CNC(=O)[C@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C42H57N11O6/c43-29(20-25-10-3-1-4-11-25)36(54)52-34-24-48-37(55)31(17-18-46-42(44)45)49-39(57)33(22-27-23-47-30-15-8-7-14-28(27)30)50-38(56)32(21-26-12-5-2-6-13-26)51-40(58)35-16-9-19-53(35)41(34)59/h1,3-4,7-8,10-11,14-15,23,26,29,31-35,47H,2,5-6,9,12-13,16-22,24,43H2,(H,48,55)(H,49,57)(H,50,56)(H,51,58)(H,52,54)(H4,44,45,46)/t29-,31-,32+,33-,34-,35-/m0/s1 | PDB
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University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077488
((S)-2-Amino-N-[(5S,9S,12S,15R,17aS)-15-cyclohexylm...)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CNC(=O)[C@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C42H57N11O6/c43-29(20-25-10-3-1-4-11-25)36(54)52-34-24-48-37(55)31(17-18-46-42(44)45)49-39(57)33(22-27-23-47-30-15-8-7-14-28(27)30)50-38(56)32(21-26-12-5-2-6-13-26)51-40(58)35-16-9-19-53(35)41(34)59/h1,3-4,7-8,10-11,14-15,23,26,29,31-35,47H,2,5-6,9,12-13,16-22,24,43H2,(H,48,55)(H,49,57)(H,50,56)(H,51,58)(H,52,54)(H4,44,45,46)/t29-,31-,32+,33-,34-,35-/m0/s1 | PDB
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University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077483
((R)-2-[(S)-2-{(R)-2-[((R)-1-{(S)-6-Amino-2-[(S)-2-...)Show SMILES CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |wU:40.42,54.58,2.2,wD:25.27,13.13,29.30,(.4,-4.76,;1.74,-5.54,;3.07,-4.77,;3.07,-3.23,;4.4,-2.46,;5.73,-3.23,;7.06,-2.46,;7.06,-.92,;5.73,-.15,;4.4,-.92,;4.4,-5.54,;4.4,-7.08,;5.73,-4.77,;6.5,-6.1,;5.73,-7.43,;6.5,-8.76,;5.73,-10.1,;6.5,-11.44,;5.73,-12.77,;7.83,-6.87,;7.82,-8.41,;9.15,-6.1,;9.55,-4.61,;11.09,-4.53,;11.65,-5.96,;10.45,-6.94,;11.78,-7.71,;13.11,-6.94,;11.78,-9.25,;13.11,-10.03,;14.41,-9.18,;15.77,-9.88,;16.14,-11.38,;16.72,-10.26,;18.38,-9.53,;18.03,-8.04,;17.38,-9.21,;13.87,-11.35,;15.41,-11.35,;13.1,-12.68,;14.18,-13.76,;15.68,-13.36,;16.77,-14.46,;16.35,-15.96,;17.91,-16.7,;18.99,-15.61,;20.55,-15.7,;21.4,-14.41,;20.7,-13.01,;19.15,-12.94,;18.31,-14.23,;13.78,-15.26,;12.57,-15.58,;14.86,-16.35,;14.46,-17.85,;16,-18.01,;16.63,-19.41,;18.15,-19.58,;18.78,-20.99,;20.32,-21.16,;21.21,-19.9,;20.93,-22.56,;13.55,-19.09,;14.18,-20.5,;12.03,-18.92,)| Show InChI InChI=1S/C47H69N11O7/c1-51-37(26-30-14-4-2-5-15-30)41(59)54-35(20-10-11-23-48)45(63)58-25-13-22-40(58)44(62)57-38(27-31-16-6-3-7-17-31)42(60)56-39(28-32-29-53-34-19-9-8-18-33(32)34)43(61)55-36(46(64)65)21-12-24-52-47(49)50/h2,4-5,8-9,14-15,18-19,29,31,35-40,51,53H,3,6-7,10-13,16-17,20-28,48H2,1H3,(H,54,59)(H,55,61)(H,56,60)(H,57,62)(H,64,65)(H4,49,50,52)/t35-,36-,37-,38+,39-,40+/m0/s1 | PDB
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University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077484
((S)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-6-Amino-2-((S)-2-...)Show SMILES C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:33.34,1.1,wD:18.19,6.5,22.22,47.50,(4.48,-1.38,;3.4,-2.48,;1.92,-2.08,;3.81,-3.97,;2.71,-5.04,;5.29,-4.37,;6.06,-5.69,;5.29,-7.02,;3.74,-7.02,;2.98,-8.35,;1.44,-8.35,;.68,-9.68,;7.39,-6.46,;7.37,-8,;8.7,-5.69,;9.1,-4.2,;10.63,-4.12,;11.19,-5.55,;10.01,-6.53,;11.33,-7.3,;12.66,-6.53,;11.33,-8.84,;12.66,-9.61,;13.94,-8.76,;15.32,-9.46,;15.68,-10.96,;16.25,-9.84,;17.93,-9.12,;17.56,-7.63,;16.93,-8.79,;13.41,-10.93,;14.95,-10.93,;12.64,-12.26,;13.73,-13.34,;15.23,-12.94,;16.31,-14.04,;15.9,-15.53,;17.44,-16.27,;18.53,-15.18,;20.07,-15.27,;20.93,-13.98,;20.23,-12.59,;18.67,-12.51,;17.84,-13.8,;13.33,-14.83,;12.13,-15.16,;14.41,-15.92,;14.01,-17.42,;15.53,-17.58,;16.16,-18.98,;17.7,-19.14,;18.32,-20.55,;19.84,-20.72,;20.75,-19.47,;20.47,-22.12,;13.1,-18.65,;13.73,-20.06,;11.57,-18.49,)| Show InChI InChI=1S/C40H63N11O7/c1-24(42)34(52)47-29(15-7-8-18-41)38(56)51-20-10-17-33(51)37(55)50-31(21-25-11-3-2-4-12-25)35(53)49-32(22-26-23-46-28-14-6-5-13-27(26)28)36(54)48-30(39(57)58)16-9-19-45-40(43)44/h5-6,13-14,23-25,29-33,46H,2-4,7-12,15-22,41-42H2,1H3,(H,47,52)(H,48,54)(H,49,53)(H,50,55)(H,57,58)(H4,43,44,45)/t24-,29-,30+,31+,32-,33+/m0/s1 | PDB
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University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077507
((S)-2-Acetylamino-N-[(5S,10R,13S,16R,18aS)-16-cycl...)Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCNC(=O)[C@@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C45H61N11O7/c1-27(57)51-35(23-28-11-4-2-5-12-28)40(59)53-34-19-20-48-39(58)33(18-21-49-45(46)47)52-42(61)37(25-30-26-50-32-16-9-8-15-31(30)32)54-41(60)36(24-29-13-6-3-7-14-29)55-43(62)38-17-10-22-56(38)44(34)63/h2,4-5,8-9,11-12,15-16,26,29,33-38,50H,3,6-7,10,13-14,17-25H2,1H3,(H,48,58)(H,51,57)(H,52,61)(H,53,59)(H,54,60)(H,55,62)(H4,46,47,49)/t33-,34+,35+,36-,37+,38+/m1/s1 | PDB
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| n/a | n/a | >1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077507
((S)-2-Acetylamino-N-[(5S,10R,13S,16R,18aS)-16-cycl...)Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCNC(=O)[C@@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C45H61N11O7/c1-27(57)51-35(23-28-11-4-2-5-12-28)40(59)53-34-19-20-48-39(58)33(18-21-49-45(46)47)52-42(61)37(25-30-26-50-32-16-9-8-15-31(30)32)54-41(60)36(24-29-13-6-3-7-14-29)55-43(62)38-17-10-22-56(38)44(34)63/h2,4-5,8-9,11-12,15-16,26,29,33-38,50H,3,6-7,10,13-14,17-25H2,1H3,(H,48,58)(H,51,57)(H,52,61)(H,53,59)(H,54,60)(H,55,62)(H4,46,47,49)/t33-,34+,35+,36-,37+,38+/m1/s1 | PDB
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| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]-C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077508
((S)-2-Acetylamino-N-[(5S,11R,14S,17R,19aS)-17-cycl...)Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C46H63N11O7/c1-28(58)52-36(24-29-12-4-2-5-13-29)41(60)54-35-18-10-21-49-40(59)34(20-22-50-46(47)48)53-43(62)38(26-31-27-51-33-17-9-8-16-32(31)33)55-42(61)37(25-30-14-6-3-7-15-30)56-44(63)39-19-11-23-57(39)45(35)64/h2,4-5,8-9,12-13,16-17,27,30,34-39,51H,3,6-7,10-11,14-15,18-26H2,1H3,(H,49,59)(H,52,58)(H,53,62)(H,54,60)(H,55,61)(H,56,63)(H4,47,48,50)/t34-,35+,36+,37-,38+,39+/m1/s1 | PDB
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| n/a | n/a | >2.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077508
((S)-2-Acetylamino-N-[(5S,11R,14S,17R,19aS)-17-cycl...)Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C46H63N11O7/c1-28(58)52-36(24-29-12-4-2-5-13-29)41(60)54-35-18-10-21-49-40(59)34(20-22-50-46(47)48)53-43(62)38(26-31-27-51-33-17-9-8-16-32(31)33)55-42(61)37(25-30-14-6-3-7-15-30)56-44(63)39-19-11-23-57(39)45(35)64/h2,4-5,8-9,12-13,16-17,27,30,34-39,51H,3,6-7,10-11,14-15,18-26H2,1H3,(H,49,59)(H,52,58)(H,53,62)(H,54,60)(H,55,61)(H,56,63)(H4,47,48,50)/t34-,35+,36+,37-,38+,39+/m1/s1 | PDB
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University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077501
((S)-2-Amino-N-[(5S,9R,12S,15R,17aS)-15-cyclohexylm...)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CNC(=O)[C@@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C42H57N11O6/c43-29(20-25-10-3-1-4-11-25)36(54)52-34-24-48-37(55)31(17-18-46-42(44)45)49-39(57)33(22-27-23-47-30-15-8-7-14-28(27)30)50-38(56)32(21-26-12-5-2-6-13-26)51-40(58)35-16-9-19-53(35)41(34)59/h1,3-4,7-8,10-11,14-15,23,26,29,31-35,47H,2,5-6,9,12-13,16-22,24,43H2,(H,48,55)(H,49,57)(H,50,56)(H,51,58)(H,52,54)(H4,44,45,46)/t29-,31+,32+,33-,34-,35-/m0/s1 | PDB
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UniChem
Similars
| Article
PubMed
| n/a | n/a | >4.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077501
((S)-2-Amino-N-[(5S,9R,12S,15R,17aS)-15-cyclohexylm...)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CNC(=O)[C@@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C42H57N11O6/c43-29(20-25-10-3-1-4-11-25)36(54)52-34-24-48-37(55)31(17-18-46-42(44)45)49-39(57)33(22-27-23-47-30-15-8-7-14-28(27)30)50-38(56)32(21-26-12-5-2-6-13-26)51-40(58)35-16-9-19-53(35)41(34)59/h1,3-4,7-8,10-11,14-15,23,26,29,31-35,47H,2,5-6,9,12-13,16-22,24,43H2,(H,48,55)(H,49,57)(H,50,56)(H,51,58)(H,52,54)(H4,44,45,46)/t29-,31+,32+,33-,34-,35-/m0/s1 | PDB
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UniChem
Similars
| Article
PubMed
| n/a | n/a | >4.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077494
(CHEMBL58617 | N-{3-[(5S,8S,11R,14S,17R,19aS)-8-Ben...)Show SMILES NC(=N)NCCC[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O Show InChI InChI=1S/C51H63N11O6/c52-51(53)54-23-11-21-39-45(63)58-40(25-31-13-3-1-4-14-31)47(65)61-43(28-34-30-56-38-20-10-8-18-36(34)38)50(68)62-24-12-22-44(62)49(67)60-41(26-32-15-5-2-6-16-32)46(64)59-42(48(66)57-39)27-33-29-55-37-19-9-7-17-35(33)37/h1,3-4,7-10,13-14,17-20,29-30,32,39-44,55-56H,2,5-6,11-12,15-16,21-28H2,(H,57,66)(H,58,63)(H,59,64)(H,60,67)(H,61,65)(H4,52,53,54)/t39-,40+,41-,42+,43+,44+/m1/s1 | PDB
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UniChem
Similars
| Article
PubMed
| n/a | n/a | >4.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077494
(CHEMBL58617 | N-{3-[(5S,8S,11R,14S,17R,19aS)-8-Ben...)Show SMILES NC(=N)NCCC[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O Show InChI InChI=1S/C51H63N11O6/c52-51(53)54-23-11-21-39-45(63)58-40(25-31-13-3-1-4-14-31)47(65)61-43(28-34-30-56-38-20-10-8-18-36(34)38)50(68)62-24-12-22-44(62)49(67)60-41(26-32-15-5-2-6-16-32)46(64)59-42(48(66)57-39)27-33-29-55-37-19-9-7-17-35(33)37/h1,3-4,7-10,13-14,17-20,29-30,32,39-44,55-56H,2,5-6,11-12,15-16,21-28H2,(H,57,66)(H,58,63)(H,59,64)(H,60,67)(H,61,65)(H4,52,53,54)/t39-,40+,41-,42+,43+,44+/m1/s1 | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >4.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077492
((R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-2-((S)-2-Acetylam...)Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-1-c2ccccc2-c2ccccc-12)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C53H72N10O8/c1-33(64)58-43(30-34-16-4-2-5-17-34)47(65)59-41(24-12-13-27-54)51(69)63-29-15-26-46(63)50(68)62-44(31-35-18-6-3-7-19-35)48(66)61-45(49(67)60-42(52(70)71)25-14-28-57-53(55)56)32-40-38-22-10-8-20-36(38)37-21-9-11-23-39(37)40/h2,4-5,8-11,16-17,20-23,35,40-46H,3,6-7,12-15,18-19,24-32,54H2,1H3,(H,58,64)(H,59,65)(H,60,67)(H,61,66)(H,62,68)(H,70,71)(H4,55,56,57)/t41-,42+,43-,44+,45-,46+/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.15E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077492
((R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-2-((S)-2-Acetylam...)Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-1-c2ccccc2-c2ccccc-12)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C53H72N10O8/c1-33(64)58-43(30-34-16-4-2-5-17-34)47(65)59-41(24-12-13-27-54)51(69)63-29-15-26-46(63)50(68)62-44(31-35-18-6-3-7-19-35)48(66)61-45(49(67)60-42(52(70)71)25-14-28-57-53(55)56)32-40-38-22-10-8-20-36(38)37-21-9-11-23-39(37)40/h2,4-5,8-11,16-17,20-23,35,40-46H,3,6-7,12-15,18-19,24-32,54H2,1H3,(H,58,64)(H,59,65)(H,60,67)(H,61,66)(H,62,68)(H,70,71)(H4,55,56,57)/t41-,42+,43-,44+,45-,46+/m0/s1 | PDB
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.15E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077492
((R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-2-((S)-2-Acetylam...)Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-1-c2ccccc2-c2ccccc-12)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C53H72N10O8/c1-33(64)58-43(30-34-16-4-2-5-17-34)47(65)59-41(24-12-13-27-54)51(69)63-29-15-26-46(63)50(68)62-44(31-35-18-6-3-7-19-35)48(66)61-45(49(67)60-42(52(70)71)25-14-28-57-53(55)56)32-40-38-22-10-8-20-36(38)37-21-9-11-23-39(37)40/h2,4-5,8-11,16-17,20-23,35,40-46H,3,6-7,12-15,18-19,24-32,54H2,1H3,(H,58,64)(H,59,65)(H,60,67)(H,61,66)(H,62,68)(H,70,71)(H4,55,56,57)/t41-,42+,43-,44+,45-,46+/m0/s1 | PDB
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.16E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]-C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
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