BDBM133559 US8846719, 251

SMILES: Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1ccc(C)cc1

InChI Key: InChIKey=VCAOZNYTIATHLZ-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 2 hits for monomerid = 133559   

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
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A)) (Homo sapiens (Human))	BDBM133559 (US11091471, Example RO-251 | US8846719, 251) Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1ccc(C)cc1 Show InChI InChI=1S/C23H25N3O4/c1-15-3-5-17(6-4-15)22-20(16(2)30-26-22)14-29-21-8-7-18(13-24-21)23(27)25-19-9-11-28-12-10-19/h3-8,13,19H,9-12,14H2,1-2H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	-11.5	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Integrin alpha-5 (Homo sapiens (Human))	BDBM133559 (US11091471, Example RO-251 | US8846719, 251) Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1ccc(C)cc1 Show InChI InChI=1S/C23H25N3O4/c1-15-3-5-17(6-4-15)22-20(16(2)30-26-22)14-29-21-8-7-18(13-24-21)23(27)25-19-9-11-28-12-10-19/h3-8,13,19H,9-12,14H2,1-2H3,(H,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair