Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM50571376'   

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
Apelin receptor (Homo sapiens (Human))	BDBM50571376 (CHEMBL4869477) Show SMILES Cl.CCN(CC)CC[C@@H](CC(O)=O)NC(=O)c1cc(-c2c(OC)cccc2OC)n(n1)C1CCCC1 |r,wU:8.6,(26.45,-12.76,;25.46,-3.21,;26.08,-4.61,;25.17,-5.86,;23.65,-5.7,;23.02,-4.29,;25.8,-7.27,;24.9,-8.51,;25.52,-9.92,;27.06,-10.08,;27.96,-8.83,;29.49,-8.99,;27.33,-7.42,;24.62,-11.17,;23.09,-11.01,;22.46,-9.6,;22.19,-12.25,;20.65,-12.26,;20.17,-13.72,;18.72,-14.2,;17.57,-13.17,;17.89,-11.66,;16.75,-10.63,;16.11,-13.64,;15.79,-15.15,;16.95,-16.18,;18.4,-15.7,;19.55,-16.73,;19.24,-18.23,;21.42,-14.63,;22.66,-13.72,;21.43,-16.16,;20.19,-17.07,;20.66,-18.53,;22.2,-18.53,;22.68,-17.07,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human AGTRL1 expressed in CHO-K1 cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by PathHunter a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01448 BindingDB Entry DOI: 10.7270/Q2TH8RGN
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50571376 (CHEMBL4869477) Show SMILES Cl.CCN(CC)CC[C@@H](CC(O)=O)NC(=O)c1cc(-c2c(OC)cccc2OC)n(n1)C1CCCC1 |r,wU:8.6,(26.45,-12.76,;25.46,-3.21,;26.08,-4.61,;25.17,-5.86,;23.65,-5.7,;23.02,-4.29,;25.8,-7.27,;24.9,-8.51,;25.52,-9.92,;27.06,-10.08,;27.96,-8.83,;29.49,-8.99,;27.33,-7.42,;24.62,-11.17,;23.09,-11.01,;22.46,-9.6,;22.19,-12.25,;20.65,-12.26,;20.17,-13.72,;18.72,-14.2,;17.57,-13.17,;17.89,-11.66,;16.75,-10.63,;16.11,-13.64,;15.79,-15.15,;16.95,-16.18,;18.4,-15.7,;19.55,-16.73,;19.24,-18.23,;21.42,-14.63,;22.66,-13.72,;21.43,-16.16,;20.19,-17.07,;20.66,-18.53,;22.2,-18.53,;22.68,-17.07,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human APJ receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 40 mins by...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01448 BindingDB Entry DOI: 10.7270/Q2TH8RGN
					More data for this Ligand-Target Pair