Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM50571407'   

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))	BDBM50571407 (CHEMBL4868247) Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)Cc1nnco1 |r,wU:23.26,(14.59,-11.09,;15.74,-12.12,;15.42,-13.63,;13.96,-14.1,;13.64,-15.61,;14.79,-16.64,;16.25,-16.16,;17.4,-17.19,;17.09,-18.69,;16.56,-14.66,;18.02,-14.18,;18.49,-12.72,;20.03,-12.71,;20.51,-14.18,;19.27,-15.08,;19.27,-16.62,;18.03,-17.53,;18.5,-18.99,;20.04,-18.99,;20.52,-17.53,;20.94,-11.47,;20.31,-10.06,;22.47,-11.63,;23.37,-10.38,;22.74,-8.97,;23.65,-7.72,;23.02,-6.32,;23.93,-5.07,;23.31,-3.67,;21.78,-3.5,;20.87,-4.75,;21.49,-6.16,;24.9,-10.54,;25.8,-9.29,;25.31,-7.84,;26.55,-6.93,;27.79,-7.82,;27.33,-9.29,)| 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	2.32E+3	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))	BDBM50571407 (CHEMBL4868247) Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)Cc1nnco1 |r,wU:23.26,(14.59,-11.09,;15.74,-12.12,;15.42,-13.63,;13.96,-14.1,;13.64,-15.61,;14.79,-16.64,;16.25,-16.16,;17.4,-17.19,;17.09,-18.69,;16.56,-14.66,;18.02,-14.18,;18.49,-12.72,;20.03,-12.71,;20.51,-14.18,;19.27,-15.08,;19.27,-16.62,;18.03,-17.53,;18.5,-18.99,;20.04,-18.99,;20.52,-17.53,;20.94,-11.47,;20.31,-10.06,;22.47,-11.63,;23.37,-10.38,;22.74,-8.97,;23.65,-7.72,;23.02,-6.32,;23.93,-5.07,;23.31,-3.67,;21.78,-3.5,;20.87,-4.75,;21.49,-6.16,;24.9,-10.54,;25.8,-9.29,;25.31,-7.84,;26.55,-6.93,;27.79,-7.82,;27.33,-9.29,)| 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	779	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