Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50283955'   

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))	BDBM50283955 (CHEMBL4169437) Show SMILES COc1cc(CN2CCN(CC2)c2ccc(CCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)cc2)cc(OC)c1 Show InChI InChI=1S/C33H38N6O3/c1-36-33-26(21-34-36)23-39(31-7-5-4-6-30(31)35-33)32(40)13-10-24-8-11-27(12-9-24)38-16-14-37(15-17-38)22-25-18-28(41-2)20-29(19-25)42-3/h4-9,11-12,18-21,35H,10,13-17,22-23H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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))	BDBM50283955 (CHEMBL4169437) Show SMILES COc1cc(CN2CCN(CC2)c2ccc(CCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)cc2)cc(OC)c1 Show InChI InChI=1S/C33H38N6O3/c1-36-33-26(21-34-36)23-39(31-7-5-4-6-30(31)35-33)32(40)13-10-24-8-11-27(12-9-24)38-16-14-37(15-17-38)22-25-18-28(41-2)20-29(19-25)42-3/h4-9,11-12,18-21,35H,10,13-17,22-23H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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))	BDBM50283955 (CHEMBL4169437) Show SMILES COc1cc(CN2CCN(CC2)c2ccc(CCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)cc2)cc(OC)c1 Show InChI InChI=1S/C33H38N6O3/c1-36-33-26(21-34-36)23-39(31-7-5-4-6-30(31)35-33)32(40)13-10-24-8-11-27(12-9-24)38-16-14-37(15-17-38)22-25-18-28(41-2)20-29(19-25)42-3/h4-9,11-12,18-21,35H,10,13-17,22-23H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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