BDBM50088991 (R)-2-[((S)-1-Acetyl-piperidine-2-carbonyl)-amino]-3-{2-[(adamantane-1-carbonyl)-amino]-ethyldisulfanyl}-propionic acid::CHEMBL369656

SMILES: CC(=O)N1CCCC[C@H]1C(=O)N[C@@H](CSSCCNC(=O)C12CC3CC(CC(C3)C1)C2)C(O)=O

InChI Key: InChIKey=FCDQIUZLRAHMBO-XQIWWWIASA-N

Data: 1 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 1 hit for monomerid = 50088991   

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
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human))	BDBM50088991 ((R)-2-[((S)-1-Acetyl-piperidine-2-carbonyl)-amino]...) Show SMILES CC(=O)N1CCCC[C@H]1C(=O)N[C@@H](CSSCCNC(=O)C12CC3CC(CC(C3)C1)C2)C(O)=O |TLB:24:25:29:22.23.28,28:23:30:29.27.26,28:27:30:22.23.24,THB:24:23:29:30.25.26| Show InChI InChI=1S/C24H37N3O5S2/c1-15(28)27-6-3-2-4-20(27)21(29)26-19(22(30)31)14-34-33-7-5-25-23(32)24-11-16-8-17(12-24)10-18(9-16)13-24/h16-20H,2-14H2,1H3,(H,25,32)(H,26,29)(H,30,31)/t16?,17?,18?,19-,20-,24?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	425	n/a	n/a	n/a	n/a	n/a	n/a
Celltech Chiroscience Curated by ChEMBL					Assay Description Inhibition of VCAM (vascular cell adhesion molecule) adhesion to alpha4-beta1 integrin of leukocyte cells				Bioorg Med Chem Lett 10: 993-5 (2000) BindingDB Entry DOI: 10.7270/Q2RJ4KRC
					More data for this Ligand-Target Pair