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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C5a anaphylatoxin chemotactic receptor (C5aR)' and Ligand = 'BDBM50077479'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50077479
PNG
((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

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>56.2n/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))
BDBM50077479
PNG
((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

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/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