Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50030410   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Oxytocin receptor (Homo sapiens (Human))	BDBM50295778 (2-(2,6-dimethylphenoxy)-5-(4-(6-methoxypyridin-3-y...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(Oc2c(C)cccc2C)cn1 Show InChI InChI=1S/C21H20N6O2/c1-13-6-5-7-14(2)20(13)29-19-12-22-17(11-24-19)21-26-25-15(3)27(21)16-8-9-18(28-4)23-10-16/h5-12H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	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
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 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
Oxytocin receptor (Homo sapiens (Human))	BDBM50295779 (2-(2-chloro-3,6-difluorophenoxy)-5-(4-(6-methoxypy...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(Oc2c(F)ccc(F)c2Cl)cn1 Show InChI InChI=1S/C19H13ClF2N6O2/c1-10-26-27-19(28(10)11-3-6-15(29-2)24-7-11)14-8-25-16(9-23-14)30-18-13(22)5-4-12(21)17(18)20/h3-9H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80	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
Oxytocin receptor (Homo sapiens (Human))	BDBM50295777 (2-(4-fluoro-2-methylphenoxy)-5-(4-(6-methoxypyridi...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(Oc2ccc(F)cc2C)cn1 Show InChI InChI=1S/C20H17FN6O2/c1-12-8-14(21)4-6-17(12)29-19-11-22-16(10-24-19)20-26-25-13(2)27(20)15-5-7-18(28-3)23-9-15/h4-11H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
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
Oxytocin receptor (Homo sapiens (Human))	BDBM50295772 (2-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-tri...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(Oc2ccccc2C)cn1 Show InChI InChI=1S/C20H18N6O2/c1-13-6-4-5-7-17(13)28-19-12-21-16(11-23-19)20-25-24-14(2)26(20)15-8-9-18(27-3)22-10-15/h4-12H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.5	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
Oxytocin receptor (Homo sapiens (Human))	BDBM50295776 (2-(3-fluoro-2-methylphenoxy)-5-(4-(6-methoxypyridi...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(Oc2cccc(F)c2C)cn1 Show InChI InChI=1S/C20H17FN6O2/c1-12-15(21)5-4-6-17(12)29-19-11-22-16(10-24-19)20-26-25-13(2)27(20)14-7-8-18(28-3)23-9-14/h4-11H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.6	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
Oxytocin receptor (Homo sapiens (Human))	BDBM50295771 (2-(2-chlorophenoxy)-5-(4-(6-methoxypyridin-3-yl)-5...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(Oc2ccccc2Cl)cn1 Show InChI InChI=1S/C19H15ClN6O2/c1-12-24-25-19(26(12)13-7-8-17(27-2)22-9-13)15-10-23-18(11-21-15)28-16-6-4-3-5-14(16)20/h3-11H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23.6	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
Oxytocin receptor (Homo sapiens (Human))	BDBM50295780 (2-(2,4-dichlorophenoxy)-5-(4-(6-methoxypyridin-3-y...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(Oc2ccc(Cl)cc2Cl)cn1 Show InChI InChI=1S/C19H14Cl2N6O2/c1-11-25-26-19(27(11)13-4-6-17(28-2)23-8-13)15-9-24-18(10-22-15)29-16-5-3-12(20)7-14(16)21/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37.5	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
Oxytocin receptor (Homo sapiens (Human))	BDBM50295773 (2-(2-ethylphenoxy)-5-(4-(6-methoxypyridin-3-yl)-5-...) Show SMILES CCc1ccccc1Oc1cnc(cn1)-c1nnc(C)n1-c1ccc(OC)nc1 Show InChI InChI=1S/C21H20N6O2/c1-4-15-7-5-6-8-18(15)29-20-13-22-17(12-24-20)21-26-25-14(2)27(21)16-9-10-19(28-3)23-11-16/h5-13H,4H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52.3	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
Oxytocin receptor (Homo sapiens (Human))	BDBM50295775 (2-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-tri...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(Oc2ccccc2SC)cn1 Show InChI InChI=1S/C20H18N6O2S/c1-13-24-25-20(26(13)14-8-9-18(27-2)22-10-14)15-11-23-19(12-21-15)28-16-6-4-5-7-17(16)29-3/h4-12H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	198	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
Oxytocin receptor (Homo sapiens (Human))	BDBM50295774 (2-(2-methoxyphenoxy)-5-(4-(6-methoxypyridin-3-yl)-...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(Oc2ccccc2OC)cn1 Show InChI InChI=1S/C20H18N6O3/c1-13-24-25-20(26(13)14-8-9-18(28-3)22-10-14)15-11-23-19(12-21-15)29-17-7-5-4-6-16(17)27-2/h4-12H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	253	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
Oxytocin receptor (Homo sapiens (Human))	BDBM50295770 (2-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-tri...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(Oc2ccccc2)cn1 Show InChI InChI=1S/C19H16N6O2/c1-13-23-24-19(25(13)14-8-9-17(26-2)21-10-14)16-11-22-18(12-20-16)27-15-6-4-3-5-7-15/h3-12H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	350	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 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))	BDBM50295770 (2-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-tri...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(Oc2ccccc2)cn1 Show InChI InChI=1S/C19H16N6O2/c1-13-23-24-19(25(13)14-8-9-17(26-2)21-10-14)16-11-22-18(12-20-16)27-15-6-4-3-5-7-15/h3-12H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.32E+3	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))	BDBM50295770 (2-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-tri...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(Oc2ccccc2)cn1 Show InChI InChI=1S/C19H16N6O2/c1-13-23-24-19(25(13)14-8-9-17(26-2)21-10-14)16-11-22-18(12-20-16)27-15-6-4-3-5-7-15/h3-12H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.32E+3	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 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