Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50283980'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Oxytocin receptor (Homo sapiens (Human))	BDBM50283980 (CHEMBL4166008) Show SMILES Cn1ncc2CN(C(=O)CCc3ccccc3N3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C31H34N6O3/c1-34-31-24(19-32-34)21-37(29-9-5-3-7-27(29)33-31)30(40)11-10-23-6-2-4-8-28(23)36-14-12-35(13-15-36)20-22-16-25(38)18-26(39)17-22/h2-9,16-19,33,38-39H,10-15,20-21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]-oxytocin from human OTR expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50283980 (CHEMBL4166008) Show SMILES Cn1ncc2CN(C(=O)CCc3ccccc3N3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C31H34N6O3/c1-34-31-24(19-32-34)21-37(29-9-5-3-7-27(29)33-31)30(40)11-10-23-6-2-4-8-28(23)36-14-12-35(13-15-36)20-22-16-25(38)18-26(39)17-22/h2-9,16-19,33,38-39H,10-15,20-21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Antagonist activity at human OTR expressed in HEK293 cells assessed as inhibition of agonist-induced IP1 accumulation preincubated for 30 mins follow...				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50283980 (CHEMBL4166008) Show SMILES Cn1ncc2CN(C(=O)CCc3ccccc3N3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C31H34N6O3/c1-34-31-24(19-32-34)21-37(29-9-5-3-7-27(29)33-31)30(40)11-10-23-6-2-4-8-28(23)36-14-12-35(13-15-36)20-22-16-25(38)18-26(39)17-22/h2-9,16-19,33,38-39H,10-15,20-21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Agonist activity at human OTR expressed in HEK293 cells assessed as induction of IP1 accumulation after 1 hr by HTRF assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair