Found 2 hits Enz. Inhib. hit(s) with Target = 'C5a anaphylatoxin chemotactic receptor 1' and Ligand = 'BDBM50077498' 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)) | 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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
Search and Browse
