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142 similar compounds to monomer 50286864

Compile data set for download or QSAR
Wt: 471.5
BDBM17344
Wt: 830.9
BDBM50366424
Wt: 830.9
BDBM50366419
Wt: 1119.2
BDBM50027353
Wt: 880.0
BDBM50032198
Wt: 900.1
BDBM50077483
Wt: 886.0
BDBM50077486
Wt: 828.9
BDBM50077498
Wt: 928.1
BDBM50077496
Wt: 1014.2
BDBM50077500
Wt: 944.1
BDBM50077491
Wt: 913.1
BDBM50077504
Wt: 914.1
BDBM50077497
Wt: 809.9
BDBM50077484
Wt: 1161.4
BDBM50077495
Displayed 1 to 15 (of 140 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 17344,50366424,50366419,50027353,50032198,50077483,50077486,50077498,50077496,50077500,50077491,50077504,50077497,50077484,50077495   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cIAP1-BIR3


(Homo sapiens (Human))
BDBM17344
PNG
((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1
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30 -10.2n/an/an/an/an/a7.222



Genentech



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
ML-IAP-BIR


(Homo sapiens (Human))
BDBM17344
PNG
((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1
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40 -9.98n/an/an/an/an/a7.222



Genentech



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
XIAP-BIR3


(Homo sapiens (Human))
BDBM17344
PNG
((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1
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50 -9.85n/an/an/an/an/a7.222



Genentech



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
cIAP2-BIR3


(Homo sapiens (Human))
BDBM17344
PNG
((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1
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70 -9.66n/an/an/an/an/a7.222



Genentech



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50027353
PNG
(CHEMBL216386 | Glu-Trp-Pro-Arg-Pro-Gln-Ile-Pro-Pro)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C53H78N14O13/c1-3-29(2)43(51(78)66-25-9-16-39(66)50(77)67-26-10-17-40(67)52(79)80)63-45(72)34(19-20-41(55)68)60-46(73)37-14-7-23-64(37)48(75)35(13-6-22-58-53(56)57)61-47(74)38-15-8-24-65(38)49(76)36(62-44(71)32(54)18-21-42(69)70)27-30-28-59-33-12-5-4-11-31(30)33/h4-5,11-12,28-29,32,34-40,43,59H,3,6-10,13-27,54H2,1-2H3,(H2,55,68)(H,60,73)(H,61,74)(H,62,71)(H,63,72)(H,69,70)(H,79,80)(H4,56,57,58)/t29-,32-,34-,35-,36-,37-,38-,39-,40-,43-/m0/s1
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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Angiotensin I converting enzyme


Bioorg Med Chem Lett 3: 799-802 (1993)


Article DOI: 10.1016/S0960-894X(00)80669-1
BindingDB Entry DOI: 10.7270/Q29S1QZZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50027353
PNG
(CHEMBL216386 | Glu-Trp-Pro-Arg-Pro-Gln-Ile-Pro-Pro)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C53H78N14O13/c1-3-29(2)43(51(78)66-25-9-16-39(66)50(77)67-26-10-17-40(67)52(79)80)63-45(72)34(19-20-41(55)68)60-46(73)37-14-7-23-64(37)48(75)35(13-6-22-58-53(56)57)61-47(74)38-15-8-24-65(38)49(76)36(62-44(71)32(54)18-21-42(69)70)27-30-28-59-33-12-5-4-11-31(30)33/h4-5,11-12,28-29,32,34-40,43,59H,3,6-10,13-27,54H2,1-2H3,(H2,55,68)(H,60,73)(H,61,74)(H,62,71)(H,63,72)(H,69,70)(H,79,80)(H4,56,57,58)/t29-,32-,34-,35-,36-,37-,38-,39-,40-,43-/m0/s1
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800n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antihypertensive activity against human renin


J Med Chem 24: 355-61 (1981)


Article DOI: 10.1021/jm00136a001
BindingDB Entry DOI: 10.7270/Q2PC32XP
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50077483
PNG
((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
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
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n/an/a>1.12E+4n/an/an/an/an/an/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 (C5aR)


(Homo sapiens (Human))
BDBM50077486
PNG
((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
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
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n/an/a 1.95E+3n/an/an/an/an/an/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 (C5aR)


(Homo sapiens (Human))
BDBM50077491
PNG
((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
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
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n/an/a 5.90E+3n/an/an/an/an/an/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 (C5aR)


(Homo sapiens (Human))
BDBM50077498
PNG
((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
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
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n/an/a 9.12E+3n/an/an/an/an/an/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 (C5aR)


(Homo sapiens (Human))
BDBM50077496
PNG
(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
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
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n/an/a 4.79E+3n/an/an/an/an/an/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 (C5aR)


(Homo sapiens (Human))
BDBM50077498
PNG
((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
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
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n/an/a 9.12E+3n/an/an/an/an/an/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
EDNRB


(RAT)
BDBM50366419
PNG
(CHEMBL2369710)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C43H58N8O9/c1-6-25(4)37(41(57)49-34(43(59)60)21-28-23-45-30-16-11-10-15-29(28)30)50-40(56)35-17-12-18-51(35)42(58)33(22-36(44)53)48-38(54)31(19-24(2)3)47-39(55)32(46-26(5)52)20-27-13-8-7-9-14-27/h7-11,13-16,23-25,31-35,37,45H,6,12,17-22H2,1-5H3,(H2,44,53)(H,46,52)(H,47,55)(H,48,54)(H,49,57)(H,50,56)(H,59,60)/t25-,31-,32-,33-,34-,35-,37-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-endothelin-3 [ET-3] binding to endothelin B receptor (ETB) of rat cerebellum


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50366424
PNG
(CHEMBL2369709)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C43H58N8O9/c1-6-25(4)37(41(57)49-34(43(59)60)21-28-23-45-30-16-11-10-15-29(28)30)50-40(56)35-17-12-18-51(35)42(58)33(22-36(44)53)48-38(54)31(19-24(2)3)47-39(55)32(46-26(5)52)20-27-13-8-7-9-14-27/h7-11,13-16,23-25,31-35,37,45H,6,12,17-22H2,1-5H3,(H2,44,53)(H,46,52)(H,47,55)(H,48,54)(H,49,57)(H,50,56)(H,59,60)/t25-,31-,32+,33-,34-,35-,37-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-endothelin-3 [ET-3] binding to endothelin B receptor (ETB) of rat cerebellum


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50366424
PNG
(CHEMBL2369709)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C43H58N8O9/c1-6-25(4)37(41(57)49-34(43(59)60)21-28-23-45-30-16-11-10-15-29(28)30)50-40(56)35-17-12-18-51(35)42(58)33(22-36(44)53)48-38(54)31(19-24(2)3)47-39(55)32(46-26(5)52)20-27-13-8-7-9-14-27/h7-11,13-16,23-25,31-35,37,45H,6,12,17-22H2,1-5H3,(H2,44,53)(H,46,52)(H,47,55)(H,48,54)(H,49,57)(H,50,56)(H,59,60)/t25-,31-,32+,33-,34-,35-,37-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]endothelin-1 [ET-1] binding to endothelin A receptor (ETA) of rabbit renal artery vascular smooth muscle cells


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50366419
PNG
(CHEMBL2369710)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C43H58N8O9/c1-6-25(4)37(41(57)49-34(43(59)60)21-28-23-45-30-16-11-10-15-29(28)30)50-40(56)35-17-12-18-51(35)42(58)33(22-36(44)53)48-38(54)31(19-24(2)3)47-39(55)32(46-26(5)52)20-27-13-8-7-9-14-27/h7-11,13-16,23-25,31-35,37,45H,6,12,17-22H2,1-5H3,(H2,44,53)(H,46,52)(H,47,55)(H,48,54)(H,49,57)(H,50,56)(H,59,60)/t25-,31-,32-,33-,34-,35-,37-/m0/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]endothelin-1 [ET-1] binding to endothelin A receptor (ETA) of rabbit renal artery vascular smooth muscle cells


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50077504
PNG
((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
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
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n/an/a 794n/an/an/an/an/an/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 (C5aR)


(Homo sapiens (Human))
BDBM50077486
PNG
((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
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
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n/an/a 2.00E+3n/an/an/an/an/an/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 (C5aR)


(Homo sapiens (Human))
BDBM50077496
PNG
(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
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
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n/an/a 4.57E+3n/an/an/an/an/an/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 (C5aR)


(Homo sapiens (Human))
BDBM50077497
PNG
((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
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
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n/an/a 3.55E+3n/an/an/an/an/an/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 (C5aR)


(Homo sapiens (Human))
BDBM50077484
PNG
((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
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
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n/an/a>1.12E+4n/an/an/an/an/an/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 (C5aR)


(Homo sapiens (Human))
BDBM50077500
PNG
((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
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
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n/an/a 4.79E+3n/an/an/an/an/an/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 (C5aR)


(Homo sapiens (Human))
BDBM50077491
PNG
((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
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
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n/an/a 5.89E+3n/an/an/an/an/an/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 (C5aR)


(Homo sapiens (Human))
BDBM50077483
PNG
((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
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
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n/an/a 2.63E+3n/an/an/an/an/an/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 (C5aR)


(Homo sapiens (Human))
BDBM50077495
PNG
((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
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
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n/an/a 4.57E+3n/an/an/an/an/an/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 (C5aR)


(Homo sapiens (Human))
BDBM50077497
PNG
((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
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
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n/an/a 800n/an/an/an/an/an/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 (C5aR)


(Homo sapiens (Human))
BDBM50077504
PNG
((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
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
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n/an/a 3.60E+3n/an/an/an/an/an/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 (C5aR)


(Homo sapiens (Human))
BDBM50077500
PNG
((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
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
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n/an/a 2.63E+3n/an/an/an/an/an/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
EDNRB


(Homo sapiens (Human))
BDBM50032198
PNG
((S)-2-[(2S,3S)-2-((2S,3S)-2-{(S)-2-[(S)-2-((S)-2-A...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H65N7O8/c1-8-30(5)42(47(61)54-41(49(63)64)27-35-28-50-37-23-17-16-22-36(35)37)56-48(62)43(31(6)9-2)55-46(60)40(26-34-20-14-11-15-21-34)53-44(58)38(24-29(3)4)52-45(59)39(51-32(7)57)25-33-18-12-10-13-19-33/h10-23,28-31,38-43,50H,8-9,24-27H2,1-7H3,(H,51,57)(H,52,59)(H,53,58)(H,54,61)(H,55,60)(H,56,62)(H,63,64)/t30-,31-,38-,39-,40-,41-,42-,43-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity measured in CHO cells stably transfected with the human endothelin B receptor


J Med Chem 38: 2809-19 (1995)


Article DOI: 10.1021/jm00015a003
BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50032198
PNG
((S)-2-[(2S,3S)-2-((2S,3S)-2-{(S)-2-[(S)-2-((S)-2-A...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H65N7O8/c1-8-30(5)42(47(61)54-41(49(63)64)27-35-28-50-37-23-17-16-22-36(35)37)56-48(62)43(31(6)9-2)55-46(60)40(26-34-20-14-11-15-21-34)53-44(58)38(24-29(3)4)52-45(59)39(51-32(7)57)25-33-18-12-10-13-19-33/h10-23,28-31,38-43,50H,8-9,24-27H2,1-7H3,(H,51,57)(H,52,59)(H,53,58)(H,54,61)(H,55,60)(H,56,62)(H,63,64)/t30-,31-,38-,39-,40-,41-,42-,43-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin A receptor from rabbit renal vascular smooth muscles


J Med Chem 38: 2809-19 (1995)


Article DOI: 10.1021/jm00015a003
BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50077495
PNG
((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
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
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n/an/a 4.60E+3n/an/an/an/an/an/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