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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Somatostatin receptor type 2' and Ligand = 'BDBM50075277'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50075277
PNG
((2R,3S)-N-(5-Amino-[1,3]dioxan-2-ylmethyl)-3-(1H-i...)
Show SMILES C[C@H]([C@@H](N1CCN(CCCc2ccccc2)C1=O)C(=O)N(C)C[C@H]1OC[C@H](N)CO1)c1c[nH]c2ccccc12 |wU:2.2,23.24,wD:26.28,1.0,(-1.32,3.36,;-1.3,1.82,;.03,1.05,;1.36,1.84,;1.36,3.38,;4.03,3.39,;4.03,1.85,;5.39,1.09,;6.71,1.87,;8.05,1.11,;9.38,1.89,;9.36,3.43,;10.69,4.2,;12.03,3.45,;12.05,1.91,;10.72,1.12,;2.7,1.07,;2.72,-.48,;.03,-.48,;1.59,-.49,;-.74,-1.81,;-2.28,-1.8,;.01,-3.16,;-.76,-4.47,;.01,-5.83,;-.79,-7.16,;-2.33,-7.14,;-3.13,-8.47,;-3.08,-5.8,;-2.31,-4.47,;-2.63,1.04,;-2.63,-.5,;-3.97,-1.29,;-5.3,-.51,;-6.63,-1.29,;-7.97,-.51,;-7.97,1.03,;-6.63,1.82,;-5.3,1.04,)|
Show InChI InChI=1S/C30H39N5O4/c1-21(25-17-32-26-13-7-6-12-24(25)26)28(29(36)33(2)18-27-38-19-23(31)20-39-27)35-16-15-34(30(35)37)14-8-11-22-9-4-3-5-10-22/h3-7,9-10,12-13,17,21,23,27-28,32H,8,11,14-16,18-20,31H2,1-2H3/t21-,23-,27-,28+/m0/s1
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Similars
PubMed
 11n/an/an/an/an/an/an/an/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
More data for this
Ligand-Target Pair