BDBM50389204 CHEMBL2062977

SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#8]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])c(I)c2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O

InChI Key: InChIKey=LPOXWPIIMACJCX-WNRNVDISSA-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 = 50389204   

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
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50389204 (CHEMBL2062977) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#8]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])c(I)c2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C26H35IN8O9/c27-14-8-13(3-4-19(14)36)9-17-25(43)35-6-7-44-12-18(35)24(42)33-15(2-1-5-30-26(28)29)22(40)31-11-20(37)32-16(10-21(38)39)23(41)34-17/h3-4,8,15-18,36H,1-2,5-7,9-12H2,(H,31,40)(H,32,37)(H,33,42)(H,34,41)(H,38,39)(H4,28,29,30)/t15-,16-,17+,18+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [125I] echistatin from alphaVbeta3 integrin isolated from human placenta after 3 hrs by liquid scintillation counter				J Med Chem 55: 5024-33 (2012) Article DOI: 10.1021/jm2016232 BindingDB Entry DOI: 10.7270/Q2FQ9XPF
					More data for this Ligand-Target Pair