BDBM50288116 3-{7-[Methyl-(2-piperidin-4-yl-ethyl)-carbamoyl]-3-oxo-2-phenethyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-4-yl}-propionic acid::CHEMBL79909

SMILES: CN(CCC1CCNCC1)C(=O)c1ccc2CN(CCc3ccccc3)C(=O)C(CCC(O)=O)Cc2c1

InChI Key: InChIKey=WBZPZTNCLJJAQK-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50288116   

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-IIb/beta-3 (Homo sapiens (Human))	BDBM50288116 (3-{7-[Methyl-(2-piperidin-4-yl-ethyl)-carbamoyl]-3...) Show SMILES CN(CCC1CCNCC1)C(=O)c1ccc2CN(CCc3ccccc3)C(=O)C(CCC(O)=O)Cc2c1 Show InChI InChI=1S/C30H39N3O4/c1-32(17-13-23-11-15-31-16-12-23)29(36)24-7-8-26-21-33(18-14-22-5-3-2-4-6-22)30(37)25(9-10-28(34)35)20-27(26)19-24/h2-8,19,23,25,31H,9-18,20-21H2,1H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against human alpha IIb beta3 integrin				Bioorg Med Chem Lett 6: 2481-2486 (1996) Article DOI: 10.1016/0960-894X(96)00432-5 BindingDB Entry DOI: 10.7270/Q25M65Q4
					More data for this Ligand-Target Pair