BDBM50212467 SANDOSTATINM::Sandostatinm

SMILES: [H][C@@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)SSC[C@@H](NC1=O)C(=O)N[C@H](CO)[C@@H](C)O)[C@@H](C)O

InChI Key: InChIKey=WNBILILJFBJQFP-SDLVTCPTSA-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 = 50212467   

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 (Homo sapiens (Human))	BDBM50212467 (SANDOSTATINM | Sandostatinm) Show SMILES [H][C@@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)SSC[C@@H](NC1=O)C(=O)N[C@H](CO)[C@@H](C)O)[C@@H](C)O Show InChI InChI=1S/C48H64N10O10S2/c1-27(60)38(25-59)55-45(66)39-26-69-70-48(58-41(62)33(50)21-29-13-5-3-6-14-29)47(68)54-36(22-30-15-7-4-8-16-30)43(64)53-37(23-31-24-51-34-18-10-9-17-32(31)34)44(65)52-35(19-11-12-20-49)42(63)57-40(28(2)61)46(67)56-39/h3-10,13-18,24,27-28,33,35-40,48,51,59-61H,11-12,19-23,25-26,49-50H2,1-2H3,(H,52,65)(H,53,64)(H,54,68)(H,55,66)(H,56,67)(H,57,63)(H,58,62)/t27-,28-,33+,35+,36+,37-,38-,39-,40-,48+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested for free energy of binding against somatostatin receptor				Citation and Details BindingDB Entry DOI: 10.7270/Q2X350M0
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