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BDBM50008372 CHEMBL408493::H-Phg-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](N)c1ccccc1)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=JMLNJQNWKQJSSX-OXGGVKHXSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50008372   
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))		BDBM50008372
PNG
(CHEMBL408493 | H-Phg-Lys-AspMet-GIn-Leu-Gly-Arg-OH)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](N)c1ccccc1)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/C42H69N13O12S/c1-23(2)20-29(35(60)49-22-32(57)50-28(41(66)67)13-9-18-48-42(46)47)54-37(62)26(14-15-31(44)56)51-38(63)27(16-19-68-3)52-39(64)30(21-33(58)59)55-36(61)25(12-7-8-17-43)53-40(65)34(45)24-10-5-4-6-11-24/h4-6,10-11,23,25-30,34H,7-9,12-22,43,45H2,1-3H3,(H2,44,56)(H,49,60)(H,50,57)(H,51,63)(H,52,64)(H,53,65)(H,54,62)(H,55,61)(H,58,59)(H,66,67)(H4,46,47,48)/t25-,26-,27-,28-,29-,30-,34+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC sid
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Similars
PubMed
 3.10E+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)


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