Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM50506033'   

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))	BDBM50506033 (CHEMBL4473653) Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(F)cccc1-c1nc2ccccc2[nH]1)c1ccccc1 |r,wD:3.35,(27.17,-6.87,;28.49,-6.1,;29.83,-6.87,;31.16,-6.1,;32.5,-6.86,;33.84,-6.1,;33.83,-4.55,;35.17,-6.86,;35.18,-8.41,;36.51,-9.18,;37.84,-8.4,;37.84,-6.86,;36.51,-6.09,;39.17,-6.09,;39.17,-4.55,;40.51,-6.86,;39.17,-9.18,;40.5,-8.4,;41.25,-7.06,;41.83,-9.17,;41.84,-10.72,;40.5,-11.49,;39.16,-10.72,;37.84,-11.49,;36.43,-10.87,;35.4,-12.01,;33.87,-12.01,;33.09,-13.33,;33.86,-14.67,;35.4,-14.67,;36.16,-13.34,;37.67,-13.03,;31.16,-4.56,;32.5,-3.79,;32.49,-2.25,;31.16,-1.48,;29.82,-2.26,;29.83,-3.8,)| Show InChI InChI=1S/C31H26FN3O3/c1-2-9-25(19-10-4-3-5-11-19)35-30(36)20-16-17-21(23(18-20)31(37)38)28-22(12-8-13-24(28)32)29-33-26-14-6-7-15-27(26)34-29/h3-8,10-18,25H,2,9H2,1H3,(H,33,34)(H,35,36)(H,37,38)/t25-/m1/s1	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	0.510	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
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