BDBM50183590 CHEMBL380434::c(RGDfF)

SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O

InChI Key: InChIKey=VYLBOUQMYNRGBR-GPJHCHHRSA-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 = 50183590   

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/ITGB5 (Homo sapiens (Human))	BDBM50183590 (CHEMBL380434 | c(RGDfF)) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C30H38N8O7/c31-30(32)33-13-7-12-20-26(42)34-17-24(39)35-23(16-25(40)41)29(45)38-22(15-19-10-5-2-6-11-19)28(44)37-21(27(43)36-20)14-18-8-3-1-4-9-18/h1-6,8-11,20-23H,7,12-17H2,(H,34,42)(H,35,39)(H,36,43)(H,37,44)(H,38,45)(H,40,41)(H4,31,32,33)/t20-,21-,22+,23-/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	15.7	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor				J Med Chem 49: 1808-17 (2006) Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50183590 (CHEMBL380434 | c(RGDfF)) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C30H38N8O7/c31-30(32)33-13-7-12-20-26(42)34-17-24(39)35-23(16-25(40)41)29(45)38-22(15-19-10-5-2-6-11-19)28(44)37-21(27(43)36-20)14-18-8-3-1-4-9-18/h1-6,8-11,20-23H,7,12-17H2,(H,34,42)(H,35,39)(H,36,43)(H,37,44)(H,38,45)(H,40,41)(H4,31,32,33)/t20-,21-,22+,23-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor				J Med Chem 49: 1808-17 (2006) Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD
					More data for this Ligand-Target Pair