BDBM50392274 CHEMBL2153642

SMILES: [#6]-[#8]-[#6](=O)-c1ccc(-[#6]-[#8]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-c2cccc(c2)\[#7]=[#6]-2/[#7]-[#6]-[#6]-[#6]-[#7]-2)-[#6](-[#8])=O)cc1

InChI Key: InChIKey=YUFKABYHWCRYRX-DEOSSOPVSA-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 = 50392274   

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))	BDBM50392274 (CHEMBL2153642) Show SMILES [#6]-[#8]-[#6](=O)-c1ccc(-[#6]-[#8]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-c2cccc(c2)\[#7]=[#6]-2/[#7]-[#6]-[#6]-[#6]-[#7]-2)-[#6](-[#8])=O)cc1 |r| Show InChI InChI=1S/C29H36N6O7/c1-41-27(39)21-8-6-20(7-9-21)19-42-29(40)33-24(26(37)38)10-11-25(36)35-16-14-34(15-17-35)23-5-2-4-22(18-23)32-28-30-12-3-13-31-28/h2,4-9,18,24H,3,10-17,19H2,1H3,(H,33,40)(H,37,38)(H2,30,31,32)/t24-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
sigma-tau Industrie Farmaceutiche Riunite SpA Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from integrin alpha5beta3 after 3 hrs by gamma counter				Bioorg Med Chem Lett 22: 6509-12 (2012) Article DOI: 10.1016/j.bmcl.2012.07.061 BindingDB Entry DOI: 10.7270/Q2GM88DW
					More data for this Ligand-Target Pair