BindingDB PrimarySearch

BDBM50205308 (S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)-N-((R)-1-(2-amino-2-oxoethylamino)-5-guanidino-1-oxopentan-2-yl)pyrrolidine-2-carboxamide::CHEMBL1429::DESMOPRESSIN::US10131692, Compound 42 (dDAVP)::dDAVP

SMILES: [#7]-[#6](=O)-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O

InChI Key: InChIKey=NFLWUMRGJYTJIN-PNIOQBSNSA-N

Data: 5 KI 10 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50205308
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
Vasopressin V2 Receptor (Rattus norvegicus (Rat))	BDBM50205308 ((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]AVP from vasopressin V2 receptor in rat kidney membranes				J Med Chem 50: 835-47 (2007) Article DOI: 10.1021/jm060928n BindingDB Entry DOI: 10.7270/Q2G161NH
INSERM Curated by ChEMBL					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50205308 ((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Ohio Curated by ChEMBL					Assay Description Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...				J Med Chem 47: 2375-88 (2004) Article DOI: 10.1021/jm030611c BindingDB Entry DOI: 10.7270/Q2GF0V8C
Medical College of Ohio Curated by ChEMBL					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50205308 ((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Ohio Curated by ChEMBL					Assay Description Binding affinity against human vasopressin V2 receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptor...				J Med Chem 47: 2375-88 (2004) Article DOI: 10.1021/jm030611c BindingDB Entry DOI: 10.7270/Q2GF0V8C
Medical College of Ohio Curated by ChEMBL					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50205308 ((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	62.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Ohio Curated by ChEMBL					Assay Description Binding affinity against human vasopressin V1a receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...				J Med Chem 47: 2375-88 (2004) Article DOI: 10.1021/jm030611c BindingDB Entry DOI: 10.7270/Q2GF0V8C
Medical College of Ohio Curated by ChEMBL					More data for this Ligand-Target Pair
AVPR1A (RAT)	BDBM50205308 ((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]AVP from vasopressin V1a receptor in rat liver membrane				J Med Chem 50: 835-47 (2007) Article DOI: 10.1021/jm060928n BindingDB Entry DOI: 10.7270/Q2G161NH
INSERM Curated by ChEMBL					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50205308 ((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	6.59E+3	n/a	n/a	n/a	n/a
Ferring B.V. US Patent					Assay Description To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...				US Patent US10131692 (2018) BindingDB Entry DOI: 10.7270/Q2WQ05TR
Ferring B.V. US Patent					More data for this Ligand-Target Pair
Vasopressin receptor (Rattus norvegicus (Rat))	BDBM50205308 ((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0300	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant rat V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ge...				J Med Chem 62: 4991-5005 (2019) Article DOI: 10.1021/acs.jmedchem.9b00132
Ferring Research Institute Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50205308 ((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...				J Med Chem 62: 4991-5005 (2019) Article DOI: 10.1021/acs.jmedchem.9b00132
Ferring Research Institute Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50205308 ((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Agonist activity at human OTR stably expressed in CHOK1 cells by NFAT-luciferase reporter gene assay				J Med Chem 62: 4991-5005 (2019) Article DOI: 10.1021/acs.jmedchem.9b00132
Ferring Research Institute Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50205308 ((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a
Ferring B.V. US Patent					Assay Description Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...				US Patent US10131692 (2018) BindingDB Entry DOI: 10.7270/Q2WQ05TR
Ferring B.V. US Patent					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50205308 ((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Agonist activity at human vasopressin V1b expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay				J Med Chem 57: 5306-17 (2014) Article DOI: 10.1021/jm500365s BindingDB Entry DOI: 10.7270/Q2WD426V
Ferring Research Institute Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50205308 ((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Agonist activity at human vasopressin V1a expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay				J Med Chem 57: 5306-17 (2014) Article DOI: 10.1021/jm500365s BindingDB Entry DOI: 10.7270/Q2WD426V
Ferring Research Institute Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50205308 ((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant human V1B receptor expressed in HEK293 cells measured after 5 hrs by luciferase reporter gene assay				J Med Chem 62: 4991-5005 (2019) Article DOI: 10.1021/acs.jmedchem.9b00132
Ferring Research Institute Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50205308 ((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	72	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay				J Med Chem 57: 5306-17 (2014) Article DOI: 10.1021/jm500365s BindingDB Entry DOI: 10.7270/Q2WD426V
Ferring Research Institute Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50205308 ((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Agonist activity at human vasopressin V2 expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay				J Med Chem 57: 5306-17 (2014) Article DOI: 10.1021/jm500365s BindingDB Entry DOI: 10.7270/Q2WD426V
Ferring Research Institute Inc. Curated by ChEMBL					More data for this Ligand-Target Pair