Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM360125'   

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))	BDBM360125 ((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,(2.97,14.95,;4.3,15.72,;4.3,17.26,;2.97,18.03,;2.97,19.57,;1.63,17.26,;.86,15.93,;2.4,15.93,;.3,18.03,;-1.04,17.26,;-1.2,15.73,;-2.7,15.41,;-3.47,16.74,;-5.01,16.74,;-5.78,18.08,;-7.32,18.08,;-8.09,16.74,;-7.32,15.41,;-8.09,14.08,;-9.63,14.08,;-5.78,15.41,;-2.44,17.89,;-2.76,19.39,;-4.23,19.87,;-5.72,19.47,;-6.49,20.8,;-4.55,21.38,;-3.4,22.41,;-1.94,21.93,;-1.62,20.42,;-.15,19.95,;1.33,20.35,;5.63,18.03,;6.97,17.26,;8.3,18.03,;8.3,19.57,;9.63,20.34,;6.97,20.34,;5.63,19.57,)| 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	0.340	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
					More data for this Ligand-Target Pair