BDBM50429473 CHEMBL2332836

SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O

InChI Key: InChIKey=WXSLOTVKKDWKQR-OGNFBWPZSA-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 = 50429473   

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
ITGA5/ITGB1 (Homo sapiens (Human))	BDBM50429473 (CHEMBL2332836) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C25H34N8O7/c26-25(27)28-10-4-8-15-23(38)33-11-5-9-17(33)21(36)32-20(14-6-2-1-3-7-14)22(37)31-16(24(39)40)12-18(34)29-13-19(35)30-15/h1-3,6-7,15-17,20H,4-5,8-13H2,(H,29,34)(H,30,35)(H,31,37)(H,32,36)(H,39,40)(H4,26,27,28)/t15-,16-,17-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of fibronectin binding to human Integrin alpha5beta1 receptor by competitive ELISA				J Med Chem 56: 1509-19 (2013) Article DOI: 10.1021/jm301221x BindingDB Entry DOI: 10.7270/Q2FJ2J4B
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50429473 (CHEMBL2332836) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C25H34N8O7/c26-25(27)28-10-4-8-15-23(38)33-11-5-9-17(33)21(36)32-20(14-6-2-1-3-7-14)22(37)31-16(24(39)40)12-18(34)29-13-19(35)30-15/h1-3,6-7,15-17,20H,4-5,8-13H2,(H,29,34)(H,30,35)(H,31,37)(H,32,36)(H,39,40)(H4,26,27,28)/t15-,16-,17-,20+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	675	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to Integrin alphaVbeta3 receptor (unknown origin) by competitive ELISA				J Med Chem 56: 1509-19 (2013) Article DOI: 10.1021/jm301221x BindingDB Entry DOI: 10.7270/Q2FJ2J4B
					More data for this Ligand-Target Pair