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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C5a anaphylatoxin chemotactic receptor (C5aR)' and Ligand = 'BDBM50008231'   
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))
BDBM50008231
PNG
(2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C51H86N14O12/c1-5-29(2)42(49(75)58-30(3)43(69)61-36(50(76)77)20-14-22-56-51(53)54)65-48(74)38(24-33-17-10-7-11-18-33)63-45(71)37(23-32-15-8-6-9-16-32)62-47(73)40(26-41(67)68)64-44(70)35(19-12-13-21-52)60-46(72)39(59-31(4)66)25-34-27-55-28-57-34/h27-30,32-33,35-40,42H,5-26,52H2,1-4H3,(H,55,57)(H,58,75)(H,59,66)(H,60,72)(H,61,69)(H,62,73)(H,63,71)(H,64,70)(H,65,74)(H,67,68)(H,76,77)(H4,53,54,56)/t29-,30-,35-,36-,37-,38-,39-,40-,42-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [125I]-C5a anaphylatoxin chemotactic receptor to polymorphonuclear leukocyte (PMNL) membrane receptor


J Med Chem 35: 220-3 (1992)


Article DOI: 10.1021/jm00080a004
BindingDB Entry DOI: 10.7270/Q21G0K7X
More data for this
Ligand-Target Pair