BDBM205855 US9255090, 324

SMILES: CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1COc2ccccc2C1

InChI Key: InChIKey=UPKLNOPZNXWHSS-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 = 205855   

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
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM205855 (US9255090, 324) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1COc2ccccc2C1 Show InChI InChI=1S/C30H30FNO5/c1-2-36-28-14-19(16-30(34)35)7-8-24(28)22-9-10-26(31)23-11-12-32(17-25(22)23)29(33)15-20-13-21-5-3-4-6-27(21)37-18-20/h3-10,14,20H,2,11-13,15-18H2,1H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair