BDBM50327755 (S)-3-(2-{4-[2-(4-Carbamimidoylpiperazin-1-yl)ethyl][1,2,3]triazol-1-yl}acetylamino)-3-phenylpropionic Acid::CHEMBL1258214

SMILES: NC(=N)N1CCN(CCc2cn(CC(=O)N[C@@H](C(O)=O)c3ccccc3)nn2)CC1

InChI Key: InChIKey=NBEPHJTXONMPGQ-QGZVFWFLSA-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 = 50327755   

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))	BDBM50327755 ((S)-3-(2-{4-[2-(4-Carbamimidoylpiperazin-1-yl)ethy...) Show SMILES NC(=N)N1CCN(CCc2cn(CC(=O)N[C@@H](C(O)=O)c3ccccc3)nn2)CC1 |r| Show InChI InChI=1S/C19H26N8O3/c20-19(21)26-10-8-25(9-11-26)7-6-15-12-27(24-23-15)13-16(28)22-17(18(29)30)14-4-2-1-3-5-14/h1-5,12,17H,6-11,13H2,(H3,20,21)(H,22,28)(H,29,30)/t17-/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	1.27E+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))	BDBM50327755 ((S)-3-(2-{4-[2-(4-Carbamimidoylpiperazin-1-yl)ethy...) Show SMILES NC(=N)N1CCN(CCc2cn(CC(=O)N[C@@H](C(O)=O)c3ccccc3)nn2)CC1 |r| Show InChI InChI=1S/C19H26N8O3/c20-19(21)26-10-8-25(9-11-26)7-6-15-12-27(24-23-15)13-16(28)22-17(18(29)30)14-4-2-1-3-5-14/h1-5,12,17H,6-11,13H2,(H3,20,21)(H,22,28)(H,29,30)/t17-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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