Found 2 hits Enz. Inhib. hit(s) with Target = 'C5a anaphylatoxin chemotactic receptor 1' and Ligand = 'BDBM50077495' 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)) | 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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
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