BDBM50327751 (S)-3-{2-[4-(3-Guanidinopropyl)[1,2,3]triazol-1-yl]acetylamino}-3-phenylpropionic Acid::CHEMBL1257984

SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-c1cn(-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6](-[#8])=O)-c2ccccc2)nn1

InChI Key: InChIKey=AEKLXAWPQXZUFR-CQSZACIVSA-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 = 50327751   

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))	BDBM50327751 ((S)-3-{2-[4-(3-Guanidinopropyl)[1,2,3]triazol-1-yl...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-c1cn(-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6](-[#8])=O)-c2ccccc2)nn1 |r| Show InChI InChI=1S/C16H21N7O3/c17-16(18)19-8-4-7-12-9-23(22-21-12)10-13(24)20-14(15(25)26)11-5-2-1-3-6-11/h1-3,5-6,9,14H,4,7-8,10H2,(H,20,24)(H,25,26)(H4,17,18,19)/t14-/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	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta5				J Med Chem 53: 7119-28 (2010) Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50327751 ((S)-3-{2-[4-(3-Guanidinopropyl)[1,2,3]triazol-1-yl...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-c1cn(-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6](-[#8])=O)-c2ccccc2)nn1 |r| Show InChI InChI=1S/C16H21N7O3/c17-16(18)19-8-4-7-12-9-23(22-21-12)10-13(24)20-14(15(25)26)11-5-2-1-3-6-11/h1-3,5-6,9,14H,4,7-8,10H2,(H,20,24)(H,25,26)(H4,17,18,19)/t14-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta3				J Med Chem 53: 7119-28 (2010) Article DOI: 10.1021/jm100754z BindingDB Entry DOI: 10.7270/Q2R211NF
					More data for this Ligand-Target Pair