BDBM50177879 CHEMBL200182::ST-1646

SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6@H]-3-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-[#6](=O)-[#7]-2-3

InChI Key: InChIKey=PZAMXSCMHJPGFV-SEBNEYGDSA-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 = 50177879   

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))	BDBM50177879 (CHEMBL200182 | ST-1646) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6@H]-3-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-[#6](=O)-[#7]-2-3 Show InChI InChI=1S/C22H34N8O7/c23-22(24)25-8-2-5-12-18(34)26-10-16(31)27-14(9-17(32)33)19(35)29-13-4-1-3-11-6-7-15(20(36)28-12)30(11)21(13)37/h11-15H,1-10H2,(H,26,34)(H,27,31)(H,28,36)(H,29,35)(H,32,33)(H4,23,24,25)/t11-,12+,13-,14+,15+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	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))	BDBM50177879 (CHEMBL200182 | ST-1646) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6@H]-3-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-[#6](=O)-[#7]-2-3 Show InChI InChI=1S/C22H34N8O7/c23-22(24)25-8-2-5-12-18(34)26-10-16(31)27-14(9-17(32)33)19(35)29-13-4-1-3-11-6-7-15(20(36)28-12)30(11)21(13)37/h11-15H,1-10H2,(H,26,34)(H,27,31)(H,28,36)(H,29,35)(H,32,33)(H4,23,24,25)/t11-,12+,13-,14+,15+/m1/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	1.40	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