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BDBM50008375 CHEMBL128360::H-Thia-Lys-AspMet-GIn-Leu-Gly-Arg-OH

SMILES: CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](C)Nc1nccs1)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

InChI Key: InChIKey=XQVDXVRQBQIPAG-LEFGHKRGSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50008375   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50008375
PNG
(CHEMBL128360 | H-Thia-Lys-AspMet-GIn-Leu-Gly-Arg-O...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](C)Nc1nccs1)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/C40H68N14O12S2/c1-21(2)18-27(33(60)47-20-30(56)49-26(38(65)66)9-7-14-45-39(43)44)53-35(62)24(10-11-29(42)55)51-36(63)25(12-16-67-4)52-37(64)28(19-31(57)58)54-34(61)23(8-5-6-13-41)50-32(59)22(3)48-40-46-15-17-68-40/h15,17,21-28H,5-14,16,18-20,41H2,1-4H3,(H2,42,55)(H,46,48)(H,47,60)(H,49,56)(H,50,59)(H,51,63)(H,52,64)(H,53,62)(H,54,61)(H,57,58)(H,65,66)(H4,43,44,45)/t22-,23+,24+,25+,26+,27+,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.00E+4n/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