BDBM50050945 (S)-2-[(R)-2-((S)-2-{(R)-2-[(S)-2-(3-Adamantan-1-yl-ureido)-3-phenyl-propionylamino]-4-methyl-pentanoylamino}-3-phenyl-propionylamino)-4-methyl-pentanoylamino]-3-phenyl-propionic acid::CHEMBL415296

SMILES: CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=DQHAQRMRAWNOBR-TZBPINKVSA-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 = 50050945   

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))	BDBM50050945 ((S)-2-[(R)-2-((S)-2-{(R)-2-[(S)-2-(3-Adamantan-1-y...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |TLB:42:43:47:41.40.46,46:41:48:45.47.44,46:45:48:41.40.42,THB:42:41:47:43.48.44| Show InChI InChI=1S/C50H66N6O7/c1-31(2)20-39(52-47(60)42(26-34-16-10-6-11-17-34)55-49(63)56-50-28-36-22-37(29-50)24-38(23-36)30-50)44(57)53-41(25-33-14-8-5-9-15-33)46(59)51-40(21-32(3)4)45(58)54-43(48(61)62)27-35-18-12-7-13-19-35/h5-19,31-32,36-43H,20-30H2,1-4H3,(H,51,59)(H,52,60)(H,53,57)(H,54,58)(H,61,62)(H2,55,56,63)/t36?,37?,38?,39-,40-,41+,42+,43+,50?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	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
fMet-Leu-Phe receptor (Homo sapiens (Human))	BDBM50050945 ((S)-2-[(R)-2-((S)-2-{(R)-2-[(S)-2-(3-Adamantan-1-y...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |TLB:42:43:47:41.40.46,46:41:48:45.47.44,46:45:48:41.40.42,THB:42:41:47:43.48.44| Show InChI InChI=1S/C50H66N6O7/c1-31(2)20-39(52-47(60)42(26-34-16-10-6-11-17-34)55-49(63)56-50-28-36-22-37(29-50)24-38(23-36)30-50)44(57)53-41(25-33-14-8-5-9-15-33)46(59)51-40(21-32(3)4)45(58)54-43(48(61)62)27-35-18-12-7-13-19-35/h5-19,31-32,36-43H,20-30H2,1-4H3,(H,51,59)(H,52,60)(H,53,57)(H,54,58)(H,61,62)(H2,55,56,63)/t36?,37?,38?,39-,40-,41+,42+,43+,50?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	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