Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for entry = 50043390   

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))	BDBM50440392 (CHEMBL2424668) Show SMILES FCCOc1cc(OC2CCNCC2)ccc1CC(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12 Show InChI InChI=1S/C29H36FN3O4/c30-13-18-36-27-20-25(37-24-9-14-31-15-10-24)7-5-22(27)19-29(35)32-16-11-23(12-17-32)33-26-4-2-1-3-21(26)6-8-28(33)34/h1-5,7,20,23-24,31H,6,8-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Binding affinity to human OTR by competitive binding assay				Bioorg Med Chem Lett 23: 5415-20 (2013) Article DOI: 10.1016/j.bmcl.2013.07.045 BindingDB Entry DOI: 10.7270/Q20R9QVH
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50380759 (CHEMBL2017869) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OCCF)c1 Show InChI InChI=1S/C30H38FN3O6S/c1-41(37,38)33-17-12-25(13-18-33)40-26-8-6-23(28(21-26)39-19-14-31)20-30(36)32-15-10-24(11-16-32)34-27-5-3-2-4-22(27)7-9-29(34)35/h2-6,8,21,24-25H,7,9-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Binding affinity to human OTR by competitive binding assay				Bioorg Med Chem Lett 23: 5415-20 (2013) Article DOI: 10.1016/j.bmcl.2013.07.045 BindingDB Entry DOI: 10.7270/Q20R9QVH
					More data for this Ligand-Target Pair