BDBM50050930 (S)-2-{(S)-4-Methyl-2-[(S)-4-methylsulfanyl-2-(3-methyl-ureido)-butyrylamino]-pentanoylamino}-3-phenyl-propionic acid::CHEMBL7181

SMILES: CNC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=IBGUMCZBKRUCQD-BZSNNMDCSA-N

Data: 2 IC50

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 2 hits for monomerid = 50050930   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
fMet-Leu-Phe receptor (Homo sapiens (Human))	BDBM50050930 ((S)-2-{(S)-4-Methyl-2-[(S)-4-methylsulfanyl-2-(3-m...) Show SMILES CNC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C22H34N4O5S/c1-14(2)12-17(24-19(27)16(10-11-32-4)26-22(31)23-3)20(28)25-18(21(29)30)13-15-8-6-5-7-9-15/h5-9,14,16-18H,10-13H2,1-4H3,(H,24,27)(H,25,28)(H,29,30)(H2,23,26,31)/t16-,17-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson Matthey Biomedical Research Curated by ChEMBL					Assay Description Binding affinity towards fMLF receptor using human neutrophils				J Med Chem 39: 1013-5 (1996) Article DOI: 10.1021/jm950908d BindingDB Entry DOI: 10.7270/Q2TD9WF6
					More data for this Ligand-Target Pair
fMet-Leu-Phe receptor (Homo sapiens (Human))	BDBM50050930 ((S)-2-{(S)-4-Methyl-2-[(S)-4-methylsulfanyl-2-(3-m...) Show SMILES CNC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C22H34N4O5S/c1-14(2)12-17(24-19(27)16(10-11-32-4)26-22(31)23-3)20(28)25-18(21(29)30)13-15-8-6-5-7-9-15/h5-9,14,16-18H,10-13H2,1-4H3,(H,24,27)(H,25,28)(H,29,30)(H2,23,26,31)/t16-,17-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson Matthey Biomedical Research Curated by ChEMBL					Assay Description Antagonistic activity was determined by measuring the ability to inhibit superoxide production(stimulated by fMLF) using human neutrophils				J Med Chem 39: 1013-5 (1996) Article DOI: 10.1021/jm950908d BindingDB Entry DOI: 10.7270/Q2TD9WF6
					More data for this Ligand-Target Pair