Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50305506'   

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))	BDBM50305506 (5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5...) Show SMILES COCc1nnc(N2CC(C2)Oc2ccc(F)cc2Cl)n1-c1ccc(OC)nc1 Show InChI InChI=1S/C19H19ClFN5O3/c1-27-11-17-23-24-19(26(17)13-4-6-18(28-2)22-8-13)25-9-14(10-25)29-16-5-3-12(21)7-15(16)20/h3-8,14H,9-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human cloned oxytocin receptor by cell based beta lactamase assay				Bioorg Med Chem Lett 20: 516-20 (2010) Article DOI: 10.1016/j.bmcl.2009.11.097 BindingDB Entry DOI: 10.7270/Q2MS3SWF
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50305506 (5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5...) Show SMILES COCc1nnc(N2CC(C2)Oc2ccc(F)cc2Cl)n1-c1ccc(OC)nc1 Show InChI InChI=1S/C19H19ClFN5O3/c1-27-11-17-23-24-19(26(17)13-4-6-18(28-2)22-8-13)25-9-14(10-25)29-16-5-3-12(21)7-15(16)20/h3-8,14H,9-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DrugMolDesign Curated by ChEMBL					Assay Description Displacement of [3H]-oxytocin from oxytocin receptor in human uterus tissue				J Med Chem 53: 6525-38 (2010) Article DOI: 10.1021/jm901812z BindingDB Entry DOI: 10.7270/Q20R9PMZ
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50305506 (5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5...) Show SMILES COCc1nnc(N2CC(C2)Oc2ccc(F)cc2Cl)n1-c1ccc(OC)nc1 Show InChI InChI=1S/C19H19ClFN5O3/c1-27-11-17-23-24-19(26(17)13-4-6-18(28-2)22-8-13)25-9-14(10-25)29-16-5-3-12(21)7-15(16)20/h3-8,14H,9-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DrugMolDesign Curated by ChEMBL					Assay Description Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK293-EBNA cells				J Med Chem 53: 6525-38 (2010) Article DOI: 10.1021/jm901812z BindingDB Entry DOI: 10.7270/Q20R9PMZ
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50305506 (5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5...) Show SMILES COCc1nnc(N2CC(C2)Oc2ccc(F)cc2Cl)n1-c1ccc(OC)nc1 Show InChI InChI=1S/C19H19ClFN5O3/c1-27-11-17-23-24-19(26(17)13-4-6-18(28-2)22-8-13)25-9-14(10-25)29-16-5-3-12(21)7-15(16)20/h3-8,14H,9-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical CO., LTD. Curated by ChEMBL					Assay Description Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by ...				ACS Med Chem Lett 10: 996-1001 (2019) Article DOI: 10.1021/acsmedchemlett.9b00186 BindingDB Entry DOI: 10.7270/Q2Q52T0J
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50305506 (5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5...) Show SMILES COCc1nnc(N2CC(C2)Oc2ccc(F)cc2Cl)n1-c1ccc(OC)nc1 Show InChI InChI=1S/C19H19ClFN5O3/c1-27-11-17-23-24-19(26(17)13-4-6-18(28-2)22-8-13)25-9-14(10-25)29-16-5-3-12(21)7-15(16)20/h3-8,14H,9-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Antagonist activity at human OTR receptor expressed in HEK293FT cells assessed as inhibition of LIT-001-induced response incubated for 30 mins by bet...				J Med Chem 61: 8670-8692 (2018) Article DOI: 10.1021/acs.jmedchem.8b00697 BindingDB Entry DOI: 10.7270/Q24J0HRF
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50305506 (5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5...) Show SMILES COCc1nnc(N2CC(C2)Oc2ccc(F)cc2Cl)n1-c1ccc(OC)nc1 Show InChI InChI=1S/C19H19ClFN5O3/c1-27-11-17-23-24-19(26(17)13-4-6-18(28-2)22-8-13)25-9-14(10-25)29-16-5-3-12(21)7-15(16)20/h3-8,14H,9-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Antagonist activity at human OTR receptor expressed in HEK293FT cells assessed as inhibition of LIT-001-induced calcium release by Aequorin based ass...				J Med Chem 61: 8670-8692 (2018) Article DOI: 10.1021/acs.jmedchem.8b00697 BindingDB Entry DOI: 10.7270/Q24J0HRF
					More data for this Ligand-Target Pair