Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Type-2 angiotensin II receptor' and Ligand = 'BDBM50155247'   

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
Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50155247 (CHEMBL385433) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:20.21,64.66,8.8,35.36,2.2,wD:60.63,4.4,47.47,24.25,(3.98,-9.71,;3.98,-8.48,;5.32,-7.71,;6.38,-8.33,;5.33,-6.17,;3.99,-5.4,;4,-3.86,;5.07,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.34,-.77,;-1.34,.77,;-2.4,1.39,;,1.54,;1.33,.77,;1.33,-3.86,;1.33,-5.4,;2.4,-6.01,;-.01,-6.17,;-.01,-7.71,;-1.34,-8.48,;-2.41,-7.86,;-1.34,-10.02,;-.01,-10.79,;-.01,-12.34,;1.32,-13.11,;1.32,-14.65,;2.65,-15.42,;2.65,-16.65,;3.72,-14.81,;-2.68,-10.79,;-2.68,-12.33,;-1.61,-12.95,;-4.01,-13.1,;-5.08,-12.49,;-4.01,-14.64,;-5.34,-15.42,;-6.41,-14.8,;-5.35,-16.65,;-1.34,-5.4,;-2.41,-6.02,;-1.34,-4.17,;6.66,-5.4,;6.67,-4.17,;8,-6.18,;9.33,-5.41,;10.67,-6.18,;10.67,-7.72,;11.91,-8.61,;11.43,-10.08,;9.89,-10.07,;9.42,-8.61,;9.34,-3.87,;8.28,-3.25,;10.68,-3.1,;12.06,-3.75,;13.1,-2.61,;12.34,-1.27,;10.83,-1.58,;9.68,-.56,;9.93,.65,;8.22,-1.04,;7.07,-.01,;5.61,-.49,;4.45,.53,;2.99,.06,;1.84,1.08,;2.16,2.59,;3.62,3.07,;4.77,2.04,;7.38,1.5,;8.55,1.88,;6.46,2.32,)| Show InChI InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33+,34-,35-,36-,37-,38-,40-,41-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]CGP42112A from human recombinant AT2 receptor expressed in HEK293 cells				Bioorg Med Chem 24: 1793-810 (2016) Article DOI: 10.1016/j.bmc.2016.03.006 BindingDB Entry DOI: 10.7270/Q2J67JS7
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