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BDBM50008233 2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-6-amino-hexanoylamino}-3-carboxy-propionylamino)-3-cyclohexyl-propionylamino]-3-cyclohexyl-propionylamino}-3-cyclohexyl-propionylamino)-propionylamino]-5-guanidino-pentanoic acid::CHEMBL2369498

SMILES: CCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O

InChI Key: InChIKey=RWIDIWUWNOJMCI-XBCHUWLYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50008233   
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))
BDBM50008233
PNG
(2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...)
Show SMILES CCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C50H84N14O12/c1-4-14-34(43(69)57-29(2)42(68)61-36(49(75)76)20-13-22-55-50(52)53)59-45(71)37(23-31-15-7-5-8-16-31)62-46(72)38(24-32-17-9-6-10-18-32)63-48(74)40(26-41(66)67)64-44(70)35(19-11-12-21-51)60-47(73)39(58-30(3)65)25-33-27-54-28-56-33/h27-29,31-32,34-40H,4-26,51H2,1-3H3,(H,54,56)(H,57,69)(H,58,65)(H,59,71)(H,60,73)(H,61,68)(H,62,72)(H,63,74)(H,64,70)(H,66,67)(H,75,76)(H4,52,53,55)/t29-,34-,35-,36-,37-,38-,39-,40-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.30E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [125I]-C5a anaphylatoxin chemotactic receptor to polymorphonuclear leukocyte (PMNL) membrane receptor


J Med Chem 35: 220-3 (1992)


Article DOI: 10.1021/jm00080a004
BindingDB Entry DOI: 10.7270/Q21G0K7X
More data for this
Ligand-Target Pair