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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 = 'BDBM50008373'   
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))
BDBM50008373
PNG
(CHEMBL439468 | H-Leu-Arg-Ala-Asn-Ile-Ser-Phe-Lys-A...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C71H121N23O20S/c1-9-38(6)56(94-66(110)49(32-53(75)97)89-57(101)39(7)83-60(104)43(20-15-26-80-70(76)77)85-58(102)41(73)29-36(2)3)68(112)93-51(35-95)67(111)91-48(31-40-17-11-10-12-18-40)64(108)86-42(19-13-14-25-72)61(105)92-50(33-55(99)100)65(109)88-45(24-28-115-8)63(107)87-44(22-23-52(74)96)62(106)90-47(30-37(4)5)59(103)82-34-54(98)84-46(69(113)114)21-16-27-81-71(78)79/h10-12,17-18,36-39,41-51,56,95H,9,13-16,19-35,72-73H2,1-8H3,(H2,74,96)(H2,75,97)(H,82,103)(H,83,104)(H,84,98)(H,85,102)(H,86,108)(H,87,107)(H,88,109)(H,89,101)(H,90,106)(H,91,111)(H,92,105)(H,93,112)(H,94,110)(H,99,100)(H,113,114)(H4,76,77,80)(H4,78,79,81)/t38-,39-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,56-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
810n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-rC5a binding to C5a anaphylatoxin chemotactic receptor in human polymorphonuclear leukocyte (PMNL) membranes


J Med Chem 35: 402-6 (1992)


Article DOI: 10.1021/jm00080a030
BindingDB Entry DOI: 10.7270/Q2HH6J1S
More data for this
Ligand-Target Pair