BDBM50322618 (3S,6R,9S)-14-amino-2-((S)-1-((S)-2-((S)-1-((S)-6-amino-2-((S)-2-((S)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-3-hydroxypropanamido)-3-phenylpropanamido)hexanoyl)pyrrolidine-2-carboxamido)-4-(methylthio)butanoyl)pyrrolidine-2-carbonyl)-14-imino-3-isobutyl-6-methyl-4,7-dioxo-2,5,8,13-tetraazatetradecane-9-carboxylic acid::CHEMBL1170026

SMILES: [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7](-[#6])-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O

InChI Key: InChIKey=ZFUAXYIQJCCADD-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 = 50322618   

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)	BDBM50322618 ((3S,6R,9S)-14-amino-2-((S)-1-((S)-2-((S)-1-((S)-6-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.00E+3	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)	BDBM50322618 ((3S,6R,9S)-14-amino-2-((S)-1-((S)-2-((S)-1-((S)-6-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	13	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)	BDBM50322618 ((3S,6R,9S)-14-amino-2-((S)-1-((S)-2-((S)-1-((S)-6-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	130	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)	BDBM50322618 ((3S,6R,9S)-14-amino-2-((S)-1-((S)-2-((S)-1-((S)-6-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.00E+3	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)	BDBM50322618 ((3S,6R,9S)-14-amino-2-((S)-1-((S)-2-((S)-1-((S)-6-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair