BDBM314067 US9610264, Compound 4

SMILES: O=C(CN1CCN(Cc2ccsc2)CC1)Nc1ccccc1C(=O)NCc1ccccc1

InChI Key: InChIKey=PDYIZJZZAUFVHP-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 = 314067   

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))	BDBM314067 (US9610264, Compound 4) Show SMILES O=C(CN1CCN(Cc2ccsc2)CC1)Nc1ccccc1C(=O)NCc1ccccc1 Show InChI InChI=1S/C25H28N4O2S/c30-24(18-29-13-11-28(12-14-29)17-21-10-15-32-19-21)27-23-9-5-4-8-22(23)25(31)26-16-20-6-2-1-3-7-20/h1-10,15,19H,11-14,16-18H2,(H,26,31)(H,27,30)	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	0.270	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