BDBM50001761 CHEMBL3233262

SMILES: COc1ccnc(NCCCOc2ccc(C[C@@H](CC(=O)NO)NS(=O)(=O)c3ccc(C)cc3)cc2)c1

InChI Key: InChIKey=FNEQKUNCUDEQIC-NRFANRHFSA-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 = 50001761   

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-5/beta-1 (Homo sapiens (Human))	BDBM50001761 (CHEMBL3233262) Show SMILES COc1ccnc(NCCCOc2ccc(C[C@@H](CC(=O)NO)NS(=O)(=O)c3ccc(C)cc3)cc2)c1 |r| Show InChI InChI=1S/C26H32N4O6S/c1-19-4-10-24(11-5-19)37(33,34)30-21(17-26(31)29-32)16-20-6-8-22(9-7-20)36-15-3-13-27-25-18-23(35-2)12-14-28-25/h4-12,14,18,21,30,32H,3,13,15-17H2,1-2H3,(H,27,28)(H,29,31)/t21-/m0/s1	PDB UniProtKB/SwissProt 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
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of fibronectin binding to human alpha5beta1 integrin receptor after 1 hr by competitive solid-phase binding ELISA				J Med Chem 57: 3410-7 (2014) Article DOI: 10.1021/jm500092w BindingDB Entry DOI: 10.7270/Q25T3N1W
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50001761 (CHEMBL3233262) Show SMILES COc1ccnc(NCCCOc2ccc(C[C@@H](CC(=O)NO)NS(=O)(=O)c3ccc(C)cc3)cc2)c1 |r| Show InChI InChI=1S/C26H32N4O6S/c1-19-4-10-24(11-5-19)37(33,34)30-21(17-26(31)29-32)16-20-6-8-22(9-7-20)36-15-3-13-27-25-18-23(35-2)12-14-28-25/h4-12,14,18,21,30,32H,3,13,15-17H2,1-2H3,(H,27,28)(H,29,31)/t21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to human alphavbeta3 integrin receptor after 1 hr by competitive solid-phase binding ELISA				J Med Chem 57: 3410-7 (2014) Article DOI: 10.1021/jm500092w BindingDB Entry DOI: 10.7270/Q25T3N1W
					More data for this Ligand-Target Pair