Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM360120'   

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))	BDBM360120 ((1R,2S)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-...) Show SMILES CN[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:2.1,3.3,(2.97,13.76,;4.3,14.53,;4.3,16.07,;2.97,16.84,;2.97,18.38,;1.63,16.07,;.86,14.73,;2.4,14.73,;.3,16.84,;-1.04,16.07,;-1.2,14.53,;-2.7,14.21,;-3.47,15.55,;-5.01,15.55,;-5.78,16.88,;-7.32,16.88,;-8.09,15.55,;-7.32,14.21,;-8.09,12.88,;-9.63,12.88,;-5.78,14.21,;-2.44,16.69,;-2.76,18.2,;-4.23,18.67,;-5.72,18.28,;-6.49,19.61,;-4.55,20.18,;-3.4,21.21,;-1.94,20.73,;-1.62,19.23,;-.15,18.75,;1.33,19.15,;5.63,16.84,;6.97,16.07,;8.3,16.84,;8.3,18.38,;9.63,19.15,;6.97,19.15,;5.63,18.38,)| Show InChI InChI=1S/C25H30N8O5S/c1-15-13-27-23(28-14-15)21(26-3)16(2)39(34,35)32-25-31-30-24(17-9-7-12-20(29-17)38-6)33(25)22-18(36-4)10-8-11-19(22)37-5/h7-14,16,21,26H,1-6H3,(H,31,32)/t16-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV™-3 expression vector (Si...				US Patent US10221162 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5JXS
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