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BDBM50008374 CHEMBL435002::Hca-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)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=QHZNSRDBHSRNPB-JNRWAQIZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50008374   
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))		BDBM50008374
PNG
(CHEMBL435002 | Hca-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)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/C43H70N12O12S/c1-25(2)22-31(37(61)49-24-35(58)51-30(42(66)67)13-9-20-48-43(46)47)54-39(63)28(15-16-33(45)56)52-40(64)29(18-21-68-3)53-41(65)32(23-36(59)60)55-38(62)27(12-7-8-19-44)50-34(57)17-14-26-10-5-4-6-11-26/h4-6,10-11,25,27-32H,7-9,12-24,44H2,1-3H3,(H2,45,56)(H,49,61)(H,50,57)(H,51,58)(H,52,64)(H,53,65)(H,54,63)(H,55,62)(H,59,60)(H,66,67)(H4,46,47,48)/t27-,28-,29-,30-,31-,32-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem

Similars
PubMed
 4.40E+3n/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