BDBM50645808 CHEMBL5594087

SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)[C@@H](C)O)[C@@H](C)O

InChI Key

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50645808   

TargetC5a anaphylatoxin chemotactic receptor 1(Human)
Indian Institute of Technology Bhubaneswar

Curated by ChEMBL
LigandPNGBDBM50645808(CHEMBL5594087)
Affinity DataKd:  105nMAssay Description:Binding affinity to N-terminal peptide SR5 of C5aR1 (1 to 28 residues)(unknown origin) assessed as dissociation constant by fluorescence based analys...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetC5a anaphylatoxin chemotactic receptor 1(Human)
Indian Institute of Technology Bhubaneswar

Curated by ChEMBL
LigandPNGBDBM50645808(CHEMBL5594087)
Affinity DataKd:  126nMAssay Description:Binding affinity to N-terminal peptide SR3 of C5aR1 (1 to 28 residues)(unknown origin) assessed as dissociation constant by fluorescence based analys...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetC5a anaphylatoxin chemotactic receptor 2(Homo sapiens)
Indian Institute of Technology Bhubaneswar

Curated by ChEMBL
LigandPNGBDBM50645808(CHEMBL5594087)
Affinity DataKd:  203nMAssay Description:Binding affinity to N-terminal peptide SR12 of C5aR2 (6 to 32 residues)(unknown origin) assessed as dissociation constant by fluorescence based analy...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetC5a anaphylatoxin chemotactic receptor 2(Homo sapiens)
Indian Institute of Technology Bhubaneswar

Curated by ChEMBL
LigandPNGBDBM50645808(CHEMBL5594087)
Affinity DataKd:  299nMAssay Description:Binding affinity to N-terminal peptide SR13 of C5aR2 (14 to 32 residues)(unknown origin) assessed as dissociation constant by fluorescence based anal...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetComplement C5(Human)
Indian Institute of Technology Bhubaneswar

Curated by ChEMBL
LigandPNGBDBM50645808(CHEMBL5594087)
Affinity DataKd:  820nMAssay Description:Binding affinity to C5a (unknown origin) assessed as dissociation constant by fluorescence quenching analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetComplement C5(Human)
Indian Institute of Technology Bhubaneswar

Curated by ChEMBL
LigandPNGBDBM50645808(CHEMBL5594087)
Affinity DataKd:  940nMAssay Description:Binding affinity to C5a (unknown origin) assessed as dissociation constant incubated for 1 hr by CD analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed