BDBM50075285 (2R,3S)-N-(5-Amino-[1,3]dioxan-2-ylmethyl)-3-(1H-indol-3-yl)-2-{2-oxo-3-[3-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl]-imidazolidin-1-yl}-butyramide::CHEMBL341646

SMILES: C[C@H]([C@@H](N1CCN(CCCn2c3ccccc3[nH]c2=O)C1=O)C(=O)NC[C@H]1OC[C@H](N)CO1)c1c[nH]c2ccccc12

InChI Key: InChIKey=QLLJKEHODHFKSV-LQBPYSJUSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50075285   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50075285 ((2R,3S)-N-(5-Amino-[1,3]dioxan-2-ylmethyl)-3-(1H-i...) Show SMILES C[C@H]([C@@H](N1CCN(CCCn2c3ccccc3[nH]c2=O)C1=O)C(=O)NC[C@H]1OC[C@H](N)CO1)c1c[nH]c2ccccc12 |wU:2.2,26.28,wD:29.32,1.0,(-1.63,3.05,;-1.61,1.51,;-.27,.75,;1.05,1.53,;1.03,3.07,;3.71,3.08,;3.72,1.54,;5.06,.79,;6.38,1.56,;7.73,.81,;9.05,1.58,;9.19,3.12,;8.15,4.25,;8.62,5.71,;10.13,6.06,;11.18,4.92,;10.69,3.45,;11.48,2.12,;10.46,.97,;10.79,-.54,;2.39,.76,;2.4,-.78,;-.27,-.78,;1.27,-.79,;-1.05,-2.11,;-.3,-3.45,;-1.07,-4.77,;-.3,-6.12,;-1.09,-7.45,;-2.64,-7.43,;-3.42,-8.76,;-3.38,-6.09,;-2.61,-4.77,;-2.94,.74,;-2.93,-.8,;-4.26,-1.59,;-5.59,-.82,;-6.93,-1.59,;-8.26,-.82,;-8.26,.72,;-6.93,1.51,;-5.59,.74,)| Show InChI InChI=1S/C30H37N7O5/c1-19(22-15-32-23-8-3-2-7-21(22)23)27(28(38)33-16-26-41-17-20(31)18-42-26)37-14-13-35(30(37)40)11-6-12-36-25-10-5-4-9-24(25)34-29(36)39/h2-5,7-10,15,19-20,26-27,32H,6,11-14,16-18,31H2,1H3,(H,33,38)(H,34,39)/t19-,20-,26-,27+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	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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