BindingDB PrimarySearch

BDBM50380759 CHEMBL2017869

SMILES: CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OCCF)c1

InChI Key: InChIKey=SYRRIFTXJYXCIX-UHFFFAOYSA-N

Data: 8 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50380759
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Oxytocin receptor (Microtus ochrogaster)	BDBM50380759 (CHEMBL2017869) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]-OVTA from prairie vole Oxytocin receptor after 72 hrs				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
Emory University Curated by ChEMBL					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Microtus ochrogaster)	BDBM50380759 (CHEMBL2017869) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]-LVA from prairie vole vasopressin V1A receptor after 72 hrs				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
Emory University Curated by ChEMBL					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50380759 (CHEMBL2017869) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]Oxytocin from human OXTR expressed in CHO cell membranes after 90 mins by liquid scintillation counting method				Bioorg Med Chem 25: 305-315 (2017) BindingDB Entry DOI: 10.7270/Q24T6MNC
Emory University Curated by ChEMBL					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50380759 (CHEMBL2017869) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	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
Emory University Curated by ChEMBL					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50380759 (CHEMBL2017869) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
Emory University Curated by ChEMBL					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50380759 (CHEMBL2017869) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V1b receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
Emory University Curated by ChEMBL					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50380759 (CHEMBL2017869) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2 receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
Emory University Curated by ChEMBL					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50380759 (CHEMBL2017869) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V1A receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
Emory University Curated by ChEMBL					More data for this Ligand-Target Pair