Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Somatostatin receptor type 2' and Ligand = 'BDBM50075279'   

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
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50075279 ((2R,3S)-N-(5-Amino-[1,3]dioxan-2-ylmethyl)-2-[3-(3...) Show SMILES C[C@H]([C@@H](N1CCN(Cc2ccc(Cl)c(Cl)c2)C1=O)C(=O)NC[C@H]1OC[C@H](N)CO1)c1c[nH]c2ccccc12 |wU:2.2,22.23,wD:25.27,1.0,(-.86,3.13,;-.83,1.59,;.5,.83,;1.83,1.6,;1.82,3.14,;4.49,3.17,;4.49,1.63,;5.84,.86,;7.16,1.65,;8.5,.88,;9.83,1.66,;9.81,3.2,;11.14,3.98,;8.47,3.96,;8.45,5.5,;7.15,3.17,;3.16,.84,;3.18,-.7,;.5,-.71,;2.05,-.71,;-.27,-2.04,;.47,-3.37,;-.3,-4.7,;.47,-6.04,;-.32,-7.37,;-1.86,-7.36,;-2.65,-8.68,;-2.61,-6,;-1.84,-4.69,;-2.16,.81,;-2.16,-.72,;-3.49,-1.5,;-4.82,-.73,;-6.15,-1.5,;-7.48,-.73,;-7.48,.81,;-6.15,1.58,;-4.82,.81,)| Show InChI InChI=1S/C27H31Cl2N5O4/c1-16(20-11-31-23-5-3-2-4-19(20)23)25(26(35)32-12-24-37-14-18(30)15-38-24)34-9-8-33(27(34)36)13-17-6-7-21(28)22(29)10-17/h2-7,10-11,16,18,24-25,31H,8-9,12-15,30H2,1H3,(H,32,35)/t16-,18-,24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity was evaluated against human Somatostatin receptor type 2 (hSSTR-2)				Bioorg Med Chem Lett 9: 491-6 (1999) BindingDB Entry DOI: 10.7270/Q2FB5235
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