BDBM314068 US9610264, Compound 5

SMILES: CC(NC(=O)c1ccccc1NC(=O)CN1C(=O)N(Cc2ccccc2)C(=O)C1=O)c1ccccc1

InChI Key: InChIKey=PWDOMNUZQXPHIM-UHFFFAOYSA-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 = 314068   

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))	BDBM314068 (US9610264, Compound 5) Show SMILES CC(NC(=O)c1ccccc1NC(=O)CN1C(=O)N(Cc2ccccc2)C(=O)C1=O)c1ccccc1 Show InChI InChI=1S/C27H24N4O5/c1-18(20-12-6-3-7-13-20)28-24(33)21-14-8-9-15-22(21)29-23(32)17-31-26(35)25(34)30(27(31)36)16-19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3,(H,28,33)(H,29,32)	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	0.610	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
Integrin α4β7 (Homo sapiens (Human))	BDBM314068 (US9610264, Compound 5) Show SMILES CC(NC(=O)c1ccccc1NC(=O)CN1C(=O)N(Cc2ccccc2)C(=O)C1=O)c1ccccc1 Show InChI InChI=1S/C27H24N4O5/c1-18(20-12-6-3-7-13-20)28-24(33)21-14-8-9-15-22(21)29-23(32)17-31-26(35)25(34)30(27(31)36)16-19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3,(H,28,33)(H,29,32)	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	0.640	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