BDBM50440392 CHEMBL2424668

SMILES: FCCOc1cc(OC2CCNCC2)ccc1CC(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12

InChI Key: InChIKey=YLEJYQFWEATDSD-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 1 hit for monomerid = 50440392   

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
Oxytocin receptor (Homo sapiens (Human))	BDBM50440392 (CHEMBL2424668) Show SMILES FCCOc1cc(OC2CCNCC2)ccc1CC(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12 Show InChI InChI=1S/C29H36FN3O4/c30-13-18-36-27-20-25(37-24-9-14-31-15-10-24)7-5-22(27)19-29(35)32-16-11-23(12-17-32)33-26-4-2-1-3-21(26)6-8-28(33)34/h1-5,7,20,23-24,31H,6,8-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Binding affinity to human OTR by competitive binding assay				Bioorg Med Chem Lett 23: 5415-20 (2013) Article DOI: 10.1016/j.bmcl.2013.07.045 BindingDB Entry DOI: 10.7270/Q20R9QVH
					More data for this Ligand-Target Pair