BDBM50265534 2-((2R,8R,11R,14S)-11-(4-aminobutyl)-8-(3-guanidinopropyl)-14-(4-hydroxybenzyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl)acetic acid::CHEMBL505426

SMILES: [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O

InChI Key: InChIKey=MFWXFNOXLDIPDQ-YSTOQKLRSA-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 = 50265534   

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))	BDBM50265534 (2-((2R,8R,11R,14S)-11-(4-aminobutyl)-8-(3-guanidin...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C27H41N9O8/c28-10-2-1-4-18-25(43)35-19(12-15-6-8-16(37)9-7-15)26(44)36-20(13-22(39)40)23(41)32-14-21(38)33-17(24(42)34-18)5-3-11-31-27(29)30/h6-9,17-20,37H,1-5,10-14,28H2,(H,32,41)(H,33,38)(H,34,42)(H,35,43)(H,36,44)(H,39,40)(H4,29,30,31)/t17-,18-,19+,20-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
University of Delaware Curated by ChEMBL					Assay Description Displacement of [125]I-echistatin from alphaVbeta3 integrin expressed in human U87MG cells by competitive binding assay				Bioorg Med Chem Lett 21: 5011-4 (2011) Article DOI: 10.1016/j.bmcl.2011.04.116 BindingDB Entry DOI: 10.7270/Q2319X5Q
					More data for this Ligand-Target Pair
Integrin alpha-V (Homo sapiens (Human))	BDBM50265534 (2-((2R,8R,11R,14S)-11-(4-aminobutyl)-8-(3-guanidin...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C27H41N9O8/c28-10-2-1-4-18-25(43)35-19(12-15-6-8-16(37)9-7-15)26(44)36-20(13-22(39)40)23(41)32-14-21(38)33-17(24(42)34-18)5-3-11-31-27(29)30/h6-9,17-20,37H,1-5,10-14,28H2,(H,32,41)(H,33,38)(H,34,42)(H,35,43)(H,36,44)(H,39,40)(H4,29,30,31)/t17-,18-,19+,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.2	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]c(RGDyK) form integrin alphaVbeta3 receptor in human U87MG cells				J Med Chem 52: 425-32 (2009) Article DOI: 10.1021/jm801285t BindingDB Entry DOI: 10.7270/Q2Z31ZH1
					More data for this Ligand-Target Pair