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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 = 'BDBM50077507'   
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))
BDBM50077507
PNG
((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

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.70E+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))
BDBM50077507
PNG
((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

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+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