BDBM50378331 CHEMBL566785

SMILES: Cc1cccc(NCCCCOc2ccc(C[C@H](NS(=O)(=O)c3cccc(c3)C(F)(F)F)C(O)=O)cc2N)n1

InChI Key: InChIKey=IALCADUNFMACEG-QFIPXVFZSA-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 = 50378331   

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
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50378331 (CHEMBL566785) Show SMILES Cc1cccc(NCCCCOc2ccc(C[C@H](NS(=O)(=O)c3cccc(c3)C(F)(F)F)C(O)=O)cc2N)n1 |r| Show InChI InChI=1S/C26H29F3N4O5S/c1-17-6-4-9-24(32-17)31-12-2-3-13-38-23-11-10-18(14-21(23)30)15-22(25(34)35)33-39(36,37)20-8-5-7-19(16-20)26(27,28)29/h4-11,14,16,22,33H,2-3,12-13,15,30H2,1H3,(H,31,32)(H,34,35)/t22-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Universite Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay				J Med Chem 52: 7029-43 (2009) Article DOI: 10.1021/jm901133z BindingDB Entry DOI: 10.7270/Q2GB2507
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50378331 (CHEMBL566785) Show SMILES Cc1cccc(NCCCCOc2ccc(C[C@H](NS(=O)(=O)c3cccc(c3)C(F)(F)F)C(O)=O)cc2N)n1 |r| Show InChI InChI=1S/C26H29F3N4O5S/c1-17-6-4-9-24(32-17)31-12-2-3-13-38-23-11-10-18(14-21(23)30)15-22(25(34)35)33-39(36,37)20-8-5-7-19(16-20)26(27,28)29/h4-11,14,16,22,33H,2-3,12-13,15,30H2,1H3,(H,31,32)(H,34,35)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
Universite Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human integrin alpha2b beta3 receptor by fibrinogen competitive binding assay				J Med Chem 52: 7029-43 (2009) Article DOI: 10.1021/jm901133z BindingDB Entry DOI: 10.7270/Q2GB2507
					More data for this Ligand-Target Pair