BDBM50219784 CHEMBL282767

SMILES: FC(F)(F)c1ccc(=O)n(CC(=O)NCc2nc3cc(ccc3s2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1

InChI Key: InChIKey=MYRYMMVMFVKYTP-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 = 50219784   

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))	BDBM50219784 (CHEMBL282767) Show SMILES FC(F)(F)c1ccc(=O)n(CC(=O)NCc2nc3cc(ccc3s2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1 Show InChI InChI=1S/C30H26F3N5O5S/c31-30(32,33)20-6-8-27(40)37(15-20)16-25(39)34-14-26-35-22-13-18(5-7-24(22)44-26)28(41)36-11-9-21(10-12-36)38-23-4-2-1-3-19(23)17-43-29(38)42/h1-8,13,15,21H,9-12,14,16-17H2,(H,34,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 3[H]oxytocin from human oxytocin receptor				Bioorg Med Chem Lett 12: 1405-11 (2002) BindingDB Entry DOI: 10.7270/Q2C24VRF
					More data for this Ligand-Target Pair