BDBM50399915 CHEMBL2180976

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

InChI Key: InChIKey=FHNGIQUASOHITF-XLAORIBOSA-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 = 50399915   

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))	BDBM50399915 (CHEMBL2180976) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6@@H]-2-[#7]-[#6](=O)-[#6@@H](-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-[#7](-[#6]-c1ccccc1)-[#6]-2=O |r| Show InChI InChI=1S/C26H35N9O8/c27-26(28)29-8-4-7-15-22(40)31-12-20(37)33-16(10-21(38)39)23(41)30-11-18-24(42)34-17(9-19(36)32-15)25(43)35(18)13-14-5-2-1-3-6-14/h1-3,5-6,15-18H,4,7-13H2,(H,30,41)(H,31,40)(H,32,36)(H,33,37)(H,34,42)(H,38,39)(H4,27,28,29)/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	3.20	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))	BDBM50399915 (CHEMBL2180976) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6@@H]-2-[#7]-[#6](=O)-[#6@@H](-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-[#7](-[#6]-c1ccccc1)-[#6]-2=O |r| Show InChI InChI=1S/C26H35N9O8/c27-26(28)29-8-4-7-15-22(40)31-12-20(37)33-16(10-21(38)39)23(41)30-11-18-24(42)34-17(9-19(36)32-15)25(43)35(18)13-14-5-2-1-3-6-14/h1-3,5-6,15-18H,4,7-13H2,(H,30,41)(H,31,40)(H,32,36)(H,33,37)(H,34,42)(H,38,39)(H4,27,28,29)/t15-,16-,17-,18+/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	114	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