BDBM314070 US9610264, Compound 6

SMILES: CC(N1CCN(CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)CC1)C(=O)NC1CC1

InChI Key: InChIKey=NAKHAAQWKXWRKS-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 314070   

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 α4β7 (Homo sapiens (Human))	BDBM314070 (US9610264, Compound 6) Show SMILES CC(N1CCN(CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)CC1)C(=O)NC1CC1 Show InChI InChI=1S/C27H35N5O3/c1-19-7-9-21(10-8-19)17-28-27(35)23-5-3-4-6-24(23)30-25(33)18-31-13-15-32(16-14-31)20(2)26(34)29-22-11-12-22/h3-10,20,22H,11-18H2,1-2H3,(H,28,35)(H,29,34)(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
KFLP BIOTECH, LLC US Patent					Assay Description The studies began by screening for the optimal protein concentrations for the method. The studies were conducted in goat anti-mouse IgG coated black ...				US Patent US9610264 (2017) BindingDB Entry DOI: 10.7270/Q2KH0QD4
					More data for this Ligand-Target Pair