BDBM50322617 (3S,6S,9S,12R,15R,18S,21S,24S)-3-((2S,5S,8S,11S,14S)-14-amino-8-((R)-1-hydroxyethyl)-15-(1H-imidazol-5-yl)-5,11-diisobutyl-2-methyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecanamido)-24-((S)-2-((S)-1-carboxy-2-phenylethylcarbamoyl)pyrrolidine-1-carbonyl)-21-(hydroxymethyl)-6,9,18-triisobutyl-12,15-bis(mercaptomethyl)-26-methyl-4,7,10,13,16,19,22-heptaoxo-5,8,11,14,17,20,23-heptaazaheptacosan-1-oic acid::CHEMBL1170025

SMILES: CC(C)C[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=CYLQZMDPLMYAJE-UHFFFAOYSA-N

Data: 3 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50322617   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C5a anaphylatoxin chemotactic receptor 1 (Human)	BDBM50322617 ((3S,6S,9S,12R,15R,18S,21S,24S)-3-((2S,5S,8S,11S,14...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Human)	BDBM50322617 ((3S,6S,9S,12R,15R,18S,21S,24S)-3-((2S,5S,8S,11S,14...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Human)	BDBM50322617 ((3S,6S,9S,12R,15R,18S,21S,24S)-3-((2S,5S,8S,11S,14...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Human)	BDBM50322617 ((3S,6S,9S,12R,15R,18S,21S,24S)-3-((2S,5S,8S,11S,14...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor (Human)	BDBM50322617 ((3S,6S,9S,12R,15R,18S,21S,24S)-3-((2S,5S,8S,11S,14...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair