BDBM50183583 CHEMBL409143::c[RG-(S)-alpha-TfmDfV]

SMILES: [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)[C@]([#6]-[#6](-[#8])=O)([#7]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)C(F)(F)F

InChI Key: InChIKey=DOBAGVTXMCAPCK-YXMHAFABSA-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 = 50183583   

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
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50183583 (CHEMBL409143 | c[RG-(S)-alpha-TfmDfV]) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)[C@]([#6]-[#6](-[#8])=O)([#7]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)C(F)(F)F Show InChI InChI=1S/C27H39F3N8O6/c1-15(2)20-23(43)36-17(9-6-10-34-25(31)32)21(41)33-11-12-35-26(14-19(39)40,27(28,29)30)24(44)37-18(22(42)38-20)13-16-7-4-3-5-8-16/h3-5,7-8,15,17-18,20,35H,6,9-14H2,1-2H3,(H,33,41)(H,36,43)(H,37,44)(H,38,42)(H,39,40)(H4,31,32,34)/t17-,18+,20-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor				J Med Chem 49: 1808-17 (2006) Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50183583 (CHEMBL409143 | c[RG-(S)-alpha-TfmDfV]) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)[C@]([#6]-[#6](-[#8])=O)([#7]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)C(F)(F)F Show InChI InChI=1S/C27H39F3N8O6/c1-15(2)20-23(43)36-17(9-6-10-34-25(31)32)21(41)33-11-12-35-26(14-19(39)40,27(28,29)30)24(44)37-18(22(42)38-20)13-16-7-4-3-5-8-16/h3-5,7-8,15,17-18,20,35H,6,9-14H2,1-2H3,(H,33,41)(H,36,43)(H,37,44)(H,38,42)(H,39,40)(H4,31,32,34)/t17-,18+,20-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor				J Med Chem 49: 1808-17 (2006) Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD
					More data for this Ligand-Target Pair