BDBM50333668 CHEMBL1643387

SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(cc2)N=Nc2ccc(cc2O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N

InChI Key: InChIKey=JXRSVKSKYWCLNP-PUKBVIDNSA-N

Data: 1 IC50

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 = 50333668   

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))	BDBM50333668 (CHEMBL1643387) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(cc2)N=Nc2ccc(cc2O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N |r,w:77.81| Show InChI InChI=1S/C87H110N20O20/c1-47(90)75(114)93-45-71(113)94-62-40-53-29-32-56(33-30-53)106-107-59-34-31-54(42-69(59)111)74(87(126)127)105-84(123)68(46-108)102-86(125)73(49(3)110)104-83(122)65(39-52-23-11-6-12-24-52)101-85(124)72(48(2)109)103-77(116)61(28-16-18-36-89)96-81(120)66(41-55-44-92-58-26-14-13-25-57(55)58)99-80(119)64(38-51-21-9-5-10-22-51)97-79(118)63(37-50-19-7-4-8-20-50)98-82(121)67(43-70(91)112)100-76(115)60(95-78(62)117)27-15-17-35-88/h4-14,19-26,29-34,42,44,47-49,60-68,72-74,92,108-111H,15-18,27-28,35-41,43,45-46,88-90H2,1-3H3,(H2,91,112)(H,93,114)(H,94,113)(H,95,117)(H,96,120)(H,97,118)(H,98,121)(H,99,119)(H,100,115)(H,101,124)(H,102,125)(H,103,116)(H,104,122)(H,105,123)(H,126,127)/t47-,48+,49+,60-,61-,62-,63-,64-,65-,66-,67-,68-,72-,73-,74-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>600	n/a	n/a	n/a	n/a	n/a	n/a
The Weizmann Institute of Science Curated by ChEMBL					Assay Description Displacement of [125I-Tyr3]octreotide from sst2 receptor expressed in rat AR4-2J cells				Bioorg Med Chem 19: 798-806 (2011) Article DOI: 10.1016/j.bmc.2010.12.014 BindingDB Entry DOI: 10.7270/Q2QC03R1
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