BDBM50305517 (R)-5-(3-(3-(4-fluoro-2-methylphenoxy)pyrrolidin-1-yl)-5-(methoxymethyl)-4H-1,2,4-triazol-4-yl)-2-methoxypyridine::CHEMBL592732

SMILES: COCc1nnc(N2CC[C@H](C2)Oc2ccc(F)cc2C)n1-c1ccc(OC)nc1

InChI Key: InChIKey=PEQYLPNRGBWXGI-QGZVFWFLSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50305517   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Oxytocin receptor (Homo sapiens (Human))	BDBM50305517 ((R)-5-(3-(3-(4-fluoro-2-methylphenoxy)pyrrolidin-1...) Show SMILES COCc1nnc(N2CC[C@H](C2)Oc2ccc(F)cc2C)n1-c1ccc(OC)nc1 |r| Show InChI InChI=1S/C21H24FN5O3/c1-14-10-15(22)4-6-18(14)30-17-8-9-26(12-17)21-25-24-19(13-28-2)27(21)16-5-7-20(29-3)23-11-16/h4-7,10-11,17H,8-9,12-13H2,1-3H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.9	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
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50305517 ((R)-5-(3-(3-(4-fluoro-2-methylphenoxy)pyrrolidin-1...) Show SMILES COCc1nnc(N2CC[C@H](C2)Oc2ccc(F)cc2C)n1-c1ccc(OC)nc1 |r| Show InChI InChI=1S/C21H24FN5O3/c1-14-10-15(22)4-6-18(14)30-17-8-9-26(12-17)21-25-24-19(13-28-2)27(21)16-5-7-20(29-3)23-11-16/h4-7,10-11,17H,8-9,12-13H2,1-3H3/t17-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	586	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 vasopressin V1a 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
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50305517 ((R)-5-(3-(3-(4-fluoro-2-methylphenoxy)pyrrolidin-1...) Show SMILES COCc1nnc(N2CC[C@H](C2)Oc2ccc(F)cc2C)n1-c1ccc(OC)nc1 |r| Show InChI InChI=1S/C21H24FN5O3/c1-14-10-15(22)4-6-18(14)30-17-8-9-26(12-17)21-25-24-19(13-28-2)27(21)16-5-7-20(29-3)23-11-16/h4-7,10-11,17H,8-9,12-13H2,1-3H3/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human cloned vasopressin V2 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