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BDBM50008380 CHEMBL217002::H-hPhe-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)CCc1ccccc1)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=UGTHYRJDYLOZJA-MRNVWEPHSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50008380   
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))		BDBM50008380
PNG
(CHEMBL217002 | H-hPhe-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](N)CCc1ccccc1)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/C44H73N13O12S/c1-25(2)22-32(38(63)51-24-35(59)52-31(43(68)69)13-9-20-50-44(48)49)56-40(65)29(16-17-34(47)58)54-41(66)30(18-21-70-3)55-42(67)33(23-36(60)61)57-39(64)28(12-7-8-19-45)53-37(62)27(46)15-14-26-10-5-4-6-11-26/h4-6,10-11,25,27-33H,7-9,12-24,45-46H2,1-3H3,(H2,47,58)(H,51,63)(H,52,59)(H,53,62)(H,54,66)(H,55,67)(H,56,65)(H,57,64)(H,60,61)(H,68,69)(H4,48,49,50)/t27-,28-,29-,30-,31-,32-,33-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Similars
PubMed
 3.60E+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