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SMILES: Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1OCCN1CCOCC1

InChI Key: InChIKey=HFUGPBREWMAERV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50262153   

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
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50262153 (4-{2-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4...) Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1OCCN1CCOCC1 |(3.08,-26.59,;1.54,-26.43,;.77,-25.1,;-.74,-25.43,;-.89,-26.97,;-2.22,-27.75,;-2.21,-29.29,;-3.54,-30.07,;-4.87,-29.29,;-4.89,-27.76,;-3.56,-26.99,;-6.21,-30.07,;-7.54,-29.31,;-8.87,-30.08,;-8.87,-31.62,;-7.54,-32.39,;-6.2,-31.62,;.52,-27.58,;.54,-29.12,;-.78,-29.9,;-.76,-31.44,;.58,-32.19,;1.91,-31.4,;1.88,-29.86,;3.2,-29.06,;4.55,-29.81,;5.87,-29.01,;7.22,-29.76,;7.24,-31.29,;8.58,-32.04,;9.9,-31.25,;9.88,-29.71,;8.53,-28.95,)| Show InChI InChI=1S/C27H28N4O2/c1-21-28-29-27(24-13-11-23(12-14-24)22-7-3-2-4-8-22)31(21)25-9-5-6-10-26(25)33-20-17-30-15-18-32-19-16-30/h2-14H,15-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	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 V1a receptor (Homo sapiens (Human))	BDBM50262153 (4-{2-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4...) Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1OCCN1CCOCC1 |(3.08,-26.59,;1.54,-26.43,;.77,-25.1,;-.74,-25.43,;-.89,-26.97,;-2.22,-27.75,;-2.21,-29.29,;-3.54,-30.07,;-4.87,-29.29,;-4.89,-27.76,;-3.56,-26.99,;-6.21,-30.07,;-7.54,-29.31,;-8.87,-30.08,;-8.87,-31.62,;-7.54,-32.39,;-6.2,-31.62,;.52,-27.58,;.54,-29.12,;-.78,-29.9,;-.76,-31.44,;.58,-32.19,;1.91,-31.4,;1.88,-29.86,;3.2,-29.06,;4.55,-29.81,;5.87,-29.01,;7.22,-29.76,;7.24,-31.29,;8.58,-32.04,;9.9,-31.25,;9.88,-29.71,;8.53,-28.95,)| Show InChI InChI=1S/C27H28N4O2/c1-21-28-29-27(24-13-11-23(12-14-24)22-7-3-2-4-8-22)31(21)25-9-5-6-10-26(25)33-20-17-30-15-18-32-19-16-30/h2-14H,15-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	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
Oxytocin receptor (Homo sapiens (Human))	BDBM50262153 (4-{2-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4...) Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1OCCN1CCOCC1 |(3.08,-26.59,;1.54,-26.43,;.77,-25.1,;-.74,-25.43,;-.89,-26.97,;-2.22,-27.75,;-2.21,-29.29,;-3.54,-30.07,;-4.87,-29.29,;-4.89,-27.76,;-3.56,-26.99,;-6.21,-30.07,;-7.54,-29.31,;-8.87,-30.08,;-8.87,-31.62,;-7.54,-32.39,;-6.2,-31.62,;.52,-27.58,;.54,-29.12,;-.78,-29.9,;-.76,-31.44,;.58,-32.19,;1.91,-31.4,;1.88,-29.86,;3.2,-29.06,;4.55,-29.81,;5.87,-29.01,;7.22,-29.76,;7.24,-31.29,;8.58,-32.04,;9.9,-31.25,;9.88,-29.71,;8.53,-28.95,)| Show InChI InChI=1S/C27H28N4O2/c1-21-28-29-27(24-13-11-23(12-14-24)22-7-3-2-4-8-22)31(21)25-9-5-6-10-26(25)33-20-17-30-15-18-32-19-16-30/h2-14H,15-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	304	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))	BDBM50262153 (4-{2-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4...) Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1OCCN1CCOCC1 |(3.08,-26.59,;1.54,-26.43,;.77,-25.1,;-.74,-25.43,;-.89,-26.97,;-2.22,-27.75,;-2.21,-29.29,;-3.54,-30.07,;-4.87,-29.29,;-4.89,-27.76,;-3.56,-26.99,;-6.21,-30.07,;-7.54,-29.31,;-8.87,-30.08,;-8.87,-31.62,;-7.54,-32.39,;-6.2,-31.62,;.52,-27.58,;.54,-29.12,;-.78,-29.9,;-.76,-31.44,;.58,-32.19,;1.91,-31.4,;1.88,-29.86,;3.2,-29.06,;4.55,-29.81,;5.87,-29.01,;7.22,-29.76,;7.24,-31.29,;8.58,-32.04,;9.9,-31.25,;9.88,-29.71,;8.53,-28.95,)| Show InChI InChI=1S/C27H28N4O2/c1-21-28-29-27(24-13-11-23(12-14-24)22-7-3-2-4-8-22)31(21)25-9-5-6-10-26(25)33-20-17-30-15-18-32-19-16-30/h2-14H,15-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	304	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