BDBM50399917 CHEMBL2180981

SMILES: [#7]-[#6]-c1ccc(-[#6]-[#7]-2-[#6@H]-3-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6]-3=O)-[#6]-2=O)cc1

InChI Key: InChIKey=CTYFZHUXWOIDBN-OKYOBFRVSA-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 = 50399917   

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))	BDBM50399917 (CHEMBL2180981) Show SMILES [#7]-[#6]-c1ccc(-[#6]-[#7]-2-[#6@H]-3-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6]-3=O)-[#6]-2=O)cc1 |r| Show InChI InChI=1S/C27H38N10O8/c28-10-14-3-5-15(6-4-14)13-37-19-11-32-24(43)17(9-22(40)41)35-21(39)12-33-23(42)16(2-1-7-31-27(29)30)34-20(38)8-18(26(37)45)36-25(19)44/h3-6,16-19H,1-2,7-13,28H2,(H,32,43)(H,33,42)(H,34,38)(H,35,39)(H,36,44)(H,40,41)(H4,29,30,31)/t16-,17-,18+,19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26.4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Competitive inhibition of biotinylated vitronectin to integrin alphaVbeta3 receptor after 3 hrs by microplate reader analysis				J Med Chem 55: 10460-74 (2012) Article DOI: 10.1021/jm301058f BindingDB Entry DOI: 10.7270/Q2WD41Q5
					More data for this Ligand-Target Pair
ITGAV/ITGB5 (Homo sapiens (Human))	BDBM50399917 (CHEMBL2180981) Show SMILES [#7]-[#6]-c1ccc(-[#6]-[#7]-2-[#6@H]-3-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6]-3=O)-[#6]-2=O)cc1 |r| Show InChI InChI=1S/C27H38N10O8/c28-10-14-3-5-15(6-4-14)13-37-19-11-32-24(43)17(9-22(40)41)35-21(39)12-33-23(42)16(2-1-7-31-27(29)30)34-20(38)8-18(26(37)45)36-25(19)44/h3-6,16-19H,1-2,7-13,28H2,(H,32,43)(H,33,42)(H,34,38)(H,35,39)(H,36,44)(H,40,41)(H4,29,30,31)/t16-,17-,18+,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Competitive inhibition of biotinylated vitronectin to integrin alphaVbeta5 receptor after 3 hrs by microplate reader analysis				J Med Chem 55: 10460-74 (2012) Article DOI: 10.1021/jm301058f BindingDB Entry DOI: 10.7270/Q2WD41Q5
					More data for this Ligand-Target Pair