BDBM50262270 2-(4-fluoro-2-methylphenyl)-5-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-triazol-3-yl)pyrazine::CHEMBL467378

SMILES: COc1ccc(cn1)-n1c(C)nnc1-c1cnc(cn1)-c1ccc(F)cc1C

InChI Key: InChIKey=JTBHLQXMGZKKRH-UHFFFAOYSA-N

Data: 13 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 13 hits for monomerid = 50262270   

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))	BDBM50262270 (2-(4-fluoro-2-methylphenyl)-5-(4-(6-methoxypyridin...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(cn1)-c1ccc(F)cc1C Show InChI InChI=1S/C20H17FN6O/c1-12-8-14(21)4-6-16(12)17-10-23-18(11-22-17)20-26-25-13(2)27(20)15-5-7-19(28-3)24-9-15/h4-11H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	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 reporter assay				Bioorg Med Chem Lett 18: 4278-81 (2008) Article DOI: 10.1016/j.bmcl.2008.06.098 BindingDB Entry DOI: 10.7270/Q28W3D4Z
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50262270 (2-(4-fluoro-2-methylphenyl)-5-(4-(6-methoxypyridin...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(cn1)-c1ccc(F)cc1C Show InChI InChI=1S/C20H17FN6O/c1-12-8-14(21)4-6-16(12)17-10-23-18(11-22-17)20-26-25-13(2)27(20)15-5-7-19(28-3)24-9-15/h4-11H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	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))	BDBM50262270 (2-(4-fluoro-2-methylphenyl)-5-(4-(6-methoxypyridin...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(cn1)-c1ccc(F)cc1C Show InChI InChI=1S/C20H17FN6O/c1-12-8-14(21)4-6-16(12)17-10-23-18(11-22-17)20-26-25-13(2)27(20)15-5-7-19(28-3)24-9-15/h4-11H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	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))	BDBM50262270 (2-(4-fluoro-2-methylphenyl)-5-(4-(6-methoxypyridin...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(cn1)-c1ccc(F)cc1C Show InChI InChI=1S/C20H17FN6O/c1-12-8-14(21)4-6-16(12)17-10-23-18(11-22-17)20-26-25-13(2)27(20)15-5-7-19(28-3)24-9-15/h4-11H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	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 19: 2634-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.160 BindingDB Entry DOI: 10.7270/Q2736QXW
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50262270 (2-(4-fluoro-2-methylphenyl)-5-(4-(6-methoxypyridin...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(cn1)-c1ccc(F)cc1C Show InChI InChI=1S/C20H17FN6O/c1-12-8-14(21)4-6-16(12)17-10-23-18(11-22-17)20-26-25-13(2)27(20)15-5-7-19(28-3)24-9-15/h4-11H,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	388	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 V1a receptor (Homo sapiens (Human))	BDBM50262270 (2-(4-fluoro-2-methylphenyl)-5-(4-(6-methoxypyridin...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(cn1)-c1ccc(F)cc1C Show InChI InChI=1S/C20H17FN6O/c1-12-8-14(21)4-6-16(12)17-10-23-18(11-22-17)20-26-25-13(2)27(20)15-5-7-19(28-3)24-9-15/h4-11H,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	388	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]-vasopressin from human vasopressin V1a receptor expressed in CHO cells at 10 uM				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
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50262270 (2-(4-fluoro-2-methylphenyl)-5-(4-(6-methoxypyridin...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(cn1)-c1ccc(F)cc1C Show InChI InChI=1S/C20H17FN6O/c1-12-8-14(21)4-6-16(12)17-10-23-18(11-22-17)20-26-25-13(2)27(20)15-5-7-19(28-3)24-9-15/h4-11H,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	388	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 19: 2634-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.160 BindingDB Entry DOI: 10.7270/Q2736QXW
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50262270 (2-(4-fluoro-2-methylphenyl)-5-(4-(6-methoxypyridin...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(cn1)-c1ccc(F)cc1C Show InChI InChI=1S/C20H17FN6O/c1-12-8-14(21)4-6-16(12)17-10-23-18(11-22-17)20-26-25-13(2)27(20)15-5-7-19(28-3)24-9-15/h4-11H,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	388	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 vassopressin V1a receptor (unknown origin)				Bioorg Med Chem Lett 18: 4278-81 (2008) Article DOI: 10.1016/j.bmcl.2008.06.098 BindingDB Entry DOI: 10.7270/Q28W3D4Z
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50262270 (2-(4-fluoro-2-methylphenyl)-5-(4-(6-methoxypyridin...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(cn1)-c1ccc(F)cc1C Show InChI InChI=1S/C20H17FN6O/c1-12-8-14(21)4-6-16(12)17-10-23-18(11-22-17)20-26-25-13(2)27(20)15-5-7-19(28-3)24-9-15/h4-11H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 vassopressin V2 receptor (unknown origin)				Bioorg Med Chem Lett 18: 4278-81 (2008) Article DOI: 10.1016/j.bmcl.2008.06.098 BindingDB Entry DOI: 10.7270/Q28W3D4Z
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50262270 (2-(4-fluoro-2-methylphenyl)-5-(4-(6-methoxypyridin...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(cn1)-c1ccc(F)cc1C Show InChI InChI=1S/C20H17FN6O/c1-12-8-14(21)4-6-16(12)17-10-23-18(11-22-17)20-26-25-13(2)27(20)15-5-7-19(28-3)24-9-15/h4-11H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	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]-vasopressin from human vasopressin V2 receptor expressed in CHO 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
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50262270 (2-(4-fluoro-2-methylphenyl)-5-(4-(6-methoxypyridin...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(cn1)-c1ccc(F)cc1C Show InChI InChI=1S/C20H17FN6O/c1-12-8-14(21)4-6-16(12)17-10-23-18(11-22-17)20-26-25-13(2)27(20)15-5-7-19(28-3)24-9-15/h4-11H,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	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]-vasopressin from human vasopressin V1b receptor expressed in CHO 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
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50262270 (2-(4-fluoro-2-methylphenyl)-5-(4-(6-methoxypyridin...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(cn1)-c1ccc(F)cc1C Show InChI InChI=1S/C20H17FN6O/c1-12-8-14(21)4-6-16(12)17-10-23-18(11-22-17)20-26-25-13(2)27(20)15-5-7-19(28-3)24-9-15/h4-11H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 19: 2634-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.160 BindingDB Entry DOI: 10.7270/Q2736QXW
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50262270 (2-(4-fluoro-2-methylphenyl)-5-(4-(6-methoxypyridin...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(cn1)-c1ccc(F)cc1C Show InChI InChI=1S/C20H17FN6O/c1-12-8-14(21)4-6-16(12)17-10-23-18(11-22-17)20-26-25-13(2)27(20)15-5-7-19(28-3)24-9-15/h4-11H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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